Nucleosides & Nucleotides

Cas#: 69304-43-4        Compound CID:  10054127

Formula:  C₂₈H₄₃N₃O₇Si₂        Molecular Weight: 589.83

IUPAC Name: N-[1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]benzamide

SMILES: CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)O)O[Si](O1)(C(C)C)C(C)C)C(C)C

InChIKey: NFIAUHQTSCWVMS-LYPBTDJXSA-N

InChI: InChI=1S/C28H43N3O7Si2/c1-17(2)39(18(3)4)35-16-22-25(37-40(38-39,19(5)6)20(7)8)24(32)27(36-22)31-15-14-23(30-28(31)34)29-26(33)21-12-10-9-11-13-21/h9-15,17-20,22,24-25,27,32H,16H2,1-8H3,(H,29,30,33,34)/t22-,24-,25-,27-/m1/s1

Cas#: 7057-48-9        Compound CID:  64975

Formula:  C₁₀H₁₁N₅O₂        Molecular Weight: 233.23

IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methanol

SMILES: C1=CC(OC1CO)N2C=NC3=C(N=CN=C32)N

InChIKey: JFUOUIPRAAGUGF-NKWVEPMBSA-N

InChI: InChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1

Cas#: 2382-10-7        Compound CID:  1712553

Formula:  C₆H₄Cl₂N₄        Molecular Weight: 203.03

IUPAC Name: 2,6-dichloro-9-methylpurine

SMILES: CN1C=NC2=C1N=C(N=C2Cl)Cl

InChIKey: HWMJNDVUIMQFEW-UHFFFAOYSA-N

InChI: InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3

Cas#: 61413-54-5        Compound CID:  5092

Formula:  C₁₆H₂₁NO₃        Molecular Weight: 275.34

IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

SMILES: COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3

InChIKey: HJORMJIFDVBMOB-UHFFFAOYSA-N

InChI: InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)

Cas#: 2341-22-2        Compound CID:  16861

Formula:  C₉H₁₂FN₃O₅        Molecular Weight: 261.21

IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

SMILES: C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F

InChIKey: STRZQWQNZQMHQR-UAKXSSHOSA-N

InChI: InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1

Cas#: 932-53-6        Compound CID:  70269

Formula:  C₄H₅N₃O₂        Molecular Weight: 127.1

IUPAC Name: 6-methyl-2H-1,2,4-triazine-3,5-dione

SMILES: CC1=NNC(=O)NC1=O

InChIKey: XZWMZFQOHTWGQE-UHFFFAOYSA-N

InChI: InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

Cas#: 4594-45-0        Compound CID:  259747

Formula:  C₁₀H₁₁ClN₄O₃        Molecular Weight: 270.67

IUPAC Name: 5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3Cl)CO)O

InChIKey: PGEULCIODBNODW-UHFFFAOYSA-N

InChI: InChI=1S/C10H11ClN4O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2

Cas#: 2004-06-0        Compound CID:  93003

Formula:  C₁₀H₁₁ClN₄O₄        Molecular Weight: 286.67

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

SMILES: C1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)CO)O)O

InChIKey: XHRJGHCQQPETRH-KQYNXXCUSA-N

InChI: InChI=1S/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/m1/s1

Cas#: 37063-35-7        Compound CID:  23666344

Formula:  C₁₀H₁₁N₅O₆PNa        Molecular Weight: 351.19

IUPAC Name: sodium;[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol

SMILES: [Na+].Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]4OP([O-])(=O)O[C@@H]34

InChIKey: VSDSIACSNXHGOV-MCDZGGTQSA-M

InChI: InChI=1S/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1

Cas#: 2092-65-1        Compound CID:  12797869

Formula:  C₁₀H₁₂N₅Na₃O₁₀P₂        Molecular Weight: 493.2

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

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

InChIKey: KWEUUBDPVVHQAL-MSQVLRTGSA-K

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

Cas#: 50-66-8        Compound CID:  5778

Formula:  C₆H₆N₄S        Molecular Weight: 166.206

IUPAC Name: 6-methylsulfanyl-7H-purine

SMILES: CSC1=NC=NC2=C1NC=N2

InChIKey: UIJIQXGRFSPYQW-UHFFFAOYSA-N

InChI: InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)

Cas#: 59607-99-7        Compound CID:  5371888

Formula:  C₁₀H₁₁NO₂        Molecular Weight: 177.2

IUPAC Name: ethyl (E)-3-pyridin-3-ylprop-2-enoate

SMILES: CCOC(=O)C=CC1=CN=CC=C1

InChIKey: PIEQSBWGIODYPE-AATRIKPKSA-N

InChI: InChI=1S/C10H11NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h3-8H,2H2,1H3/b6-5+