2-azanyl-9-[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxy-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxy-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl]oxy-3-methoxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C21H29N8O11PS MolecularWeight: 632.540721

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3C(OC(C3OC)N4C=NC5=C4NC(=NC5=O)N)CO)O)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3OC)N4C=NC5=C4NC(=NC5=O)N)CO)O)O

InChI

InChI=1S/C21H29N8O11PS/c1-21(34)14(31)9(39-18(21)28-4-3-10(22)25-20(28)33)6-37-41(35,42)40-12-8(5-30)38-17(13(12)36-2)29-7-24-11-15(29)26-19(23)27-16(11)32/h3-4,7-9,12-14,17-18,30-31,34H,5-6H2,1-2H3,(H,35,42)(H2,22,25,33)(H3,23,26,27,32)/t8-,9-,12-,13-,14-,17-,18-,21-,41?/m1/s1