Nucleosides & Nucleotides

Cas#: 100929-71-3        Compound CID:  71312102

Formula:  C₄₅H₈₂N₁₁O₁₇P₃        Molecular Weight: 1142.12

IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;cyclohexanamine

SMILES: C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O

InChIKey: PTKRUDMLGIIORX-ITGWJZMWSA-N

InChI: InChI=1S/C21H30N7O17P3.4C6H13N/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;4*7-6-4-2-1-3-5-6/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);4*6H,1-5,7H2/t10-,11-,13-,14-,15-,16-,20-,21-;;;;/m1..../s1

Cas#: 5987-76-8        Compound CID:  482588

Formula:  C₁₆H₁₆ClIN₄O₇        Molecular Weight: 538.68

IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate

SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)I)OC(=O)C)OC(=O)C

InChIKey: BYOJIJDSBSWKKE-SDBHATRESA-N

InChI: InChI=1S/C16H16ClIN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1

Cas#: 35908-31-7        Compound CID:  135742691

Formula:  C₁₀H₁₂Na₃N₄O₁₄P₃        Molecular Weight: 574.11

IUPAC Name: trisodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

SMILES: C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+]

InChIKey: QRGLCGLOQVQVCS-MSQVLRTGSA-K

InChI: InChI=1S/C10H15N4O14P3.3Na/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1

Cas#: 132628-16-1        Compound CID:  135525334

Formula:  C₁₈H₁₉N₅O₆        Molecular Weight: 401.4

IUPAC Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-phenylacetamide

SMILES: C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C(=O)N2)N=CN3C4C(C(C(O4)CO)O)O

InChIKey: IRSCBAKCFOLZNC-IWCJZZDYSA-N

InChI: InChI=1S/C18H19N5O6/c24-7-10-13(26)14(27)17(29-10)23-8-19-12-15(23)21-18(22-16(12)28)20-11(25)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,24,26-27H,6-7H2,(H2,20,21,22,25,28)/t10-,13-,14-,17-/m1/s1

Cas#: 64067-99-8        Compound CID:  2779714

Formula:  C₉H₈ClN₃O₂        Molecular Weight: 225.6

IUPAC Name: ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate

SMILES: CCOC(=O)C1=CN2C(=N1)C=CC(=N2)Cl

InChIKey: AZEPEWATPYRPBM-UHFFFAOYSA-N

InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-13-8(11-6)4-3-7(10)12-13/h3-5H,2H2,1H3

Cas#: 75431-54-8       

Formula:  C₁₀H₁₃N₅O₁₀P₂·2Na        Molecular Weight: 471.16

IUPAC Name: disodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)[O-])OP(=O)(O)[O-])O)N.[Na+].[Na+]

InChIKey: PQHHAKIJTDLQLS-IDIVVRGQSA-L

InChI: InChI=1S/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19;;/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1

Cas#: 5624-35-1        Compound CID:  136666669

Formula:  C₂₁H₂₈N₇O₁₅P₂・xNa        Molecular Weight: 703.42

IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate

SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)OP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(NC5=O)N)O)O)O)C(=O)N

InChIKey: RBWWFYZGVSCDOU-NAJQWHGHSA-N

InChI: InChI=1S/C21H27N7O15P2/c22-16(33)8-2-1-3-27(4-8)19-14(32)15(9(5-29)40-19)42-45(37,38)43-44(35,36)39-6-10-12(30)13(31)20(41-10)28-7-24-11-17(28)25-21(23)26-18(11)34/h1-4,7,9-10,12-15,19-20,29-32H,5-6H2,(H6-,22,23,25,26,33,34,35,36,37,38)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1

Cas#: 18423-43-3       

Formula:  C₁₀H₁₃N₂O₁₄P₃Na₃·2H₂O        Molecular Weight: 548.11

IUPAC Name: trisodium;[[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

InChIKey: KNVJTOALWGZWAI-SPSULGLQSA-K

InChI: InChI=1S/C10H17N2O14P3.3Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18);;;/q;3*+1/p-3/t6-,7+,8+;;;/m0.../s1

Cas#: 146-78-1        Compound CID:  8975

Formula:  C₁₀H₁₂FN₅O₄        Molecular Weight: 285.23

IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N

InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N

InChI: InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1

Cas#: 16321-99-6        Compound CID:  10788628

Formula:  C₁₆H₁₈ClN₅O₇        Molecular Weight: 427.8

IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate

SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C

InChIKey: HLVGVJFVAKPFOZ-SDBHATRESA-N

InChI: InChI=1S/C16H18ClN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1

Cas#: 117961-29-2        Compound CID:  102146956

Formula:  C₁₈H₂₀N₆Na₃O₁₅P₃        Molecular Weight: 722.28

IUPAC Name: trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [1-(2-nitrophenyl)ethoxy-oxidophosphoryl] phosphate

SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O.[Na+].[Na+].[Na+]

InChIKey: MDIHGLQHFXDYKV-LLSCZPFRSA-K

InChI: InChI=1S/C18H23N6O15P3.3Na/c1-9(10-4-2-3-5-11(10)24(27)28)37-41(31,32)39-42(33,34)38-40(29,30)35-6-12-14(25)15(26)18(36-12)23-8-22-13-16(19)20-7-21-17(13)23;;;/h2-5,7-9,12,14-15,18,25-26H,6H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H2,19,20,21);;;/q;3*+1/p-3/t9?,12-,14-,15-,18-;;;/m1.../s1

Cas#: 18423-40-0        Compound CID:  138376043

Formula:  C₁₀H₁₆N₅O₁₃P₃ · xNa · yH₂O        Molecular Weight: 507.18 (anhydrous free acid basis)

IUPAC Name: disodium;[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

SMILES: C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O.[Na+].[Na+]

InChIKey: UWDVZZOBMGHWQA-FVALZTRZSA-L

InChI: InChI=1S/C10H16N5O13P3.2Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17);;/q;2*+1/p-2/t4-,5+,6+;;/m0../s1