8-(hydroxymethyl)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(hydroxymethyl)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(hydroxymethyl)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(hydroxymethyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(hydroxymethyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-8-methylol-xanthine Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CO)CC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CO)CC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H16N4O5/c1-19-14-13(15(23)18-16(19)24)20(12(8-21)17-14)7-11(22)9-3-5-10(25-2)6-4-9/h3-6,21H,7-8H2,1-2H3,(H,18,23,24)