7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-keto-2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H16N4O4/c1-18-14-13(15(22)19(2)16(18)23)20(9-17-14)8-12(21)10-5-4-6-11(7-10)24-3/h4-7,9H,8H2,1-3H3