[(2R,3S,4R,5R)-5-[2-azanyl-6-oxidanylidene-8-[(4-phenylphenyl)amino]-3H-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[2-azanyl-6-oxidanylidene-8-[(4-phenylphenyl)amino]-3H-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-[2-amino-6-oxo-8-(4-phenylanilino)-3H-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-[2-amino-6-oxo-8-(4-phenylanilino)-3H-purin-9-yl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-[2-amino-6-oxo-8-(4-phenylanilino)-3H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-[2-amino-6-keto-8-(4-phenylanilino)-3H-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C22H23N6O8P MolecularWeight: 530.427181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=C(N3C5C(C(C(O5)COP(=O)(O)O)O)O)NC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=NC4=C(N3[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)NC(=NC4=O)N

InChI

InChI=1S/C22H23N6O8P/c23-21-26-18-15(19(31)27-21)25-22(24-13-8-6-12(7-9-13)11-4-2-1-3-5-11)28(18)20-17(30)16(29)14(36-20)10-35-37(32,33)34/h1-9,14,16-17,20,29-30H,10H2,(H,24,25)(H2,32,33,34)(H3,23,26,27,31)/t14-,16-,17-,20-/m1/s1