Nucleosides & Nucleotides

Cas#: 2002-35-9        Compound CID:  168948

Formula:  C₁₁H₁₅N₅O₃        Molecular Weight: 265.27

IUPAC Name: (2R,3S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol

SMILES: CNC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)CO)O

InChIKey: DYSDOYRQWBDGQQ-XLPZGREQSA-N

InChI: InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1

Cas#: 64325-78-6        Compound CID:  2724489

Formula:  C₃₈H₃₅N₅O₆        Molecular Weight: 657.71

IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide

SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O

InChIKey: LPICNYATEWGYHI-WIHCDAFUSA-N

InChI: InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1

Cas#: 68892-41-1        Compound CID:  135445746

Formula:  C₃₅H₃₇N₅O₇        Molecular Weight: 639.7

IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

SMILES: CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

InChIKey: RMQXDNUKLIDXOS-ZGIBFIJWSA-N

InChI: InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1

Cas#: 59-14-3        Compound CID:  6035

Formula:  C₉H₁₁BrN₂O₅        Molecular Weight: 307.1

IUPAC Name: 5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O

InChIKey: WOVKYSAHUYNSMH-RRKCRQDMSA-N

InChI: InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Cas#: 50-91-9        Compound CID:  5790

Formula:  C₉H₁₁FN₂O₅        Molecular Weight: 246.19

IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O

InChIKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N

InChI: InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Cas#: 95058-81-4        Compound CID:  60750

Formula:  C₉H₁₁F₂N₃O₄        Molecular Weight: 263.2

IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F

InChIKey: SDUQYLNIPVEERB-QPPQHZFASA-N

InChI: InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1

Cas#: 3387-36-8        Compound CID:  169020

Formula:  C₉H₁₁N₂Na₂O₉P        Molecular Weight: 368.15

IUPAC Name: disodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

InChIKey: KURVIXMFFSNONZ-WFIJOQBCSA-L

InChI: InChI=1S/C9H13N2O9P.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1

Cas#: 4270-27-3        Compound CID:  73272

Formula:  C₄H₃ClN₂O₂        Molecular Weight: 146.53

IUPAC Name: 6-chloro-1H-pyrimidine-2,4-dione

SMILES: C1=C(NC(=O)NC1=O)Cl

InChIKey: PKUFNWPSFCOSLU-UHFFFAOYSA-N

InChI: InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)

Cas#: 19817-92-6       

Formula:  C₉H₁₂N₂Na₃O₁₅P₃· xH₂O        Molecular Weight: 550.09 (anhydrous basis)

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

SMILES: [Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)N2C=CC(=O)NC2=O

InChIKey: MMJGIWFJVDOPJF-LLWADOMFSA-K

InChI: InChI=1S/C9H15N2O15P3.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/t4-,6-,7-,8-;;;/m1.../s1

Cas#: 58-96-8        Compound CID:  6029

Formula:  C₉H₁₂N₂O₆        Molecular Weight: 244.20

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

SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

InChIKey: DRTQHJPVMGBUCF-XVFCMESISA-N

InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1

Cas#: 58-96-8        Compound CID:  6029

Formula:  C₉H₁₂N₂O₆        Molecular Weight: 244.20

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

SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

InChIKey: DRTQHJPVMGBUCF-XVFCMESISA-N

InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1

Cas#: 4294-16-0        Compound CID:  92208

Formula:  C₁₇H₁₉N₅O₄        Molecular Weight: 357.36

IUPAC Name: (2R,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O

InChIKey: MRPKNNSABYPGBF-LSCFUAHRSA-N

InChI: InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1