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

Systemtic Name: 7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4/c1-18-13-12(14(21)17-15(18)22)19(8-16-13)7-11(20)9-3-5-10(23-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,21,22)