[3,4-bis(oxidanyl)-5-(6-oxidanylidene-2-phenethyl-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-oxidanylidene-2-phenethyl-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [3,4-dihydroxy-5-(6-oxo-2-phenethyl-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [3,4-dihydroxy-5-(6-oxo-2-phenethyl-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [3,4-dihydroxy-5-(6-oxo-2-phenethyl-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [3,4-dihydroxy-5-(6-keto-2-phenethyl-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C18H21N4O8P MolecularWeight: 452.355101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC(=O)C3=C(N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O

InChI

InChI=1S/C18H21N4O8P/c23-14-11(8-29-31(26,27)28)30-18(15(14)24)22-9-19-13-16(22)20-12(21-17(13)25)7-6-10-4-2-1-3-5-10/h1-5,9,11,14-15,18,23-24H,6-8H2,(H,20,21,25)(H2,26,27,28)