[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[oxidanyl-[[(2R,3S)-3-oxidanyloxolan-2-yl]methoxy]phosphoryl]oxy-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[oxidanyl-[[(2R,3S)-3-oxidanyloxolan-2-yl]methoxy]phosphoryl]oxy-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S)-3-hydroxytetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S)-3-hydroxy-2-oxolanyl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-[hydroxy-[[(2R,3S)-3-hydroxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-[hydroxy-[[(2R,3S)-3-hydroxytetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C25H35N7O16P2 MolecularWeight: 751.530222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=NC5=C4NC(=NC5=O)N)OP(=O)(O)OCC6C(CCO6)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C4NC(=NC5=O)N)OP(=O)(O)OC[C@@H]6[C@H](CCO6)O

InChI

InChI=1S/C25H35N7O16P2/c1-11-6-31(25(37)30-22(11)35)18-5-14(48-49(38,39)43-8-16-12(34)2-3-42-16)17(46-18)9-44-50(40,41)47-13-4-19(45-15(13)7-33)32-10-27-20-21(32)28-24(26)29-23(20)36/h6,10,12-19,33-34H,2-5,7-9H2,1H3,(H,38,39)(H,40,41)(H,30,35,37)(H3,26,28,29,36)/t12-,13-,14-,15+,16+,17+,18+,19+/m0/s1