[(2R,3S,5S)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[2-(methylamino)phenyl]carbonyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(2R,3S,5S)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[2-(methylamino)phenyl]carbonyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [(2R,3S,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-3-[2-(methylamino)benzoyl]tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [(2R,3S,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-3-[[2-(methylamino)phenyl]-oxomethyl]-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [(2R,3S,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-3-[2-(methylamino)benzoyl]oxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [(2R,3S,5S)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-3-[2-(methylamino)benzoyl]tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C18H22N6O11P2 MolecularWeight: 560.348402

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)C2(CC(OC2COP(=O)(O)OP(=O)(O)O)N3C=NC4=C3NC(=NC4=O)N)O

Isomeric SMILES

CNC1=CC=CC=C1C(=O)[C@@]2(C[C@H](O[C@@H]2COP(=O)(O)OP(=O)(O)O)N3C=NC4=C3NC(=NC4=O)N)O

InChI

InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)14(25)18(27)6-12(24-8-21-13-15(24)22-17(19)23-16(13)26)34-11(18)7-33-37(31,32)35-36(28,29)30/h2-5,8,11-12,20,27H,6-7H2,1H3,(H,31,32)(H2,28,29,30)(H3,19,22,23,26)/t11-,12+,18+/m1/s1