[(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-imidazol-1-yl-phosphinate

Systemtic Name: [(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxidanylidene-3H-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-imidazol-1-yl-phosphinate Openeye Name: [(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3H-purin-9-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-imidazol-1-yl-phosphinate CAS Name: [(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3H-purin-9-ium-9-yl]-3,4-dihydroxy-2-oxolanyl]methoxy-(1-imidazolyl)phosphinate IUPAC Name: [(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3H-purin-9-ium-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinate Traditional Name: [(2R,3S,4R,5R)-5-[2-(dimethylamino)-6-keto-7-methyl-3H-purin-9-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-imidazol-1-yl-phosphinate Formula: C16H22N7O7P MolecularWeight: 455.362341

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=O)N=C(N2)N(C)C)C3C(C(C(O3)COP(=O)(N4C=CN=C4)[O-])O)O

Isomeric SMILES

CN1C=[N+](C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4C=CN=C4)[O-])O)O

InChI

InChI=1S/C16H22N7O7P/c1-20(2)16-18-13-10(14(26)19-16)21(3)8-23(13)15-12(25)11(24)9(30-15)6-29-31(27,28)22-5-4-17-7-22/h4-5,7-9,11-12,15,24-25H,6H2,1-3H3,(H-,18,19,26,27,28)/t9-,11-,12-,15-/m1/s1