[3-[(6-oxidanylidene-3,7-dihydropurin-8-yl)oxymethyl]phenyl] dihydrogen phosphate

Systemtic Name: [3-[(6-oxidanylidene-3,7-dihydropurin-8-yl)oxymethyl]phenyl] dihydrogen phosphate Openeye Name: [3-[(6-oxo-3,7-dihydropurin-8-yl)oxymethyl]phenyl] dihydrogen phosphate CAS Name: [3-[(6-oxo-3,7-dihydropurin-8-yl)oxymethyl]phenyl] dihydrogen phosphate IUPAC Name: [3-[(6-oxo-3,7-dihydropurin-8-yl)oxymethyl]phenyl] dihydrogen phosphate Traditional Name: [3-[(6-keto-3,7-dihydropurin-8-yl)oxymethyl]phenyl] dihydrogen phosphate Formula: C12H11N4O6P MolecularWeight: 338.212701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OP(=O)(O)O)COC2=NC3=C(N2)C(=O)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)OP(=O)(O)O)COC2=NC3=C(N2)C(=O)N=CN3

InChI

InChI=1S/C12H11N4O6P/c17-11-9-10(13-6-14-11)16-12(15-9)21-5-7-2-1-3-8(4-7)22-23(18,19)20/h1-4,6H,5H2,(H2,18,19,20)(H2,13,14,15,16,17)