[(2R,3R,5R)-5-(2-azanyl-7-ethyl-6-oxidanylidene-3H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3R,5R)-5-(2-azanyl-7-ethyl-6-oxidanylidene-3H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3R,5R)-5-(2-amino-7-ethyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3R,5R)-5-(2-amino-7-ethyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3R,5R)-5-(2-amino-7-ethyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3R,5R)-5-(2-amino-7-ethyl-6-keto-3H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C12H19N5O8P+ MolecularWeight: 392.281721

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

CCN1C=[N+](C2=C1C(=O)N=C(N2)N)[C@H]3C([C@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C12H18N5O8P/c1-2-16-4-17(9-6(16)10(20)15-12(13)14-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,18-19H,2-3H2,1H3,(H4-,13,14,15,20,21,22,23)/p+1/t5-,7+,8?,11-/m1/s1