[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]oxy-4-methoxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-oxolanyl]methoxy-oxidophosphinothioyl]oxy-4-methoxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-4-methoxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]methoxy-oxido-thiophosphoryl]oxy-4-methoxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C21H29N8O14P2S- MolecularWeight: 711.512682

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(OC(C1O)N2C=CC(=NC2=O)N)COP(=S)([O-])OC3C(OC(C3OC)N4C=NC5=C4NC(=NC5=O)N)COP(=O)(O)O

Isomeric SMILES

CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=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)COP(=O)(O)O

InChI

InChI=1S/C21H30N8O14P2S/c1-37-13-8(41-18(12(13)30)28-4-3-10(22)25-21(28)32)6-40-45(36,46)43-14-9(5-39-44(33,34)35)42-19(15(14)38-2)29-7-24-11-16(29)26-20(23)27-17(11)31/h3-4,7-9,12-15,18-19,30H,5-6H2,1-2H3,(H,36,46)(H2,22,25,32)(H2,33,34,35)(H3,23,26,27,31)/p-1/t8-,9-,12-,13-,14-,15-,18-,19-,45?/m1/s1