3-methyl-9-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione

Systemtic Name: 3-methyl-9-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione Openeye Name: 3-methyl-9-[2-oxo-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione CAS Name: 3-methyl-9-[2-oxo-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-9-[2-oxo-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione Traditional Name: 9-[2-keto-2-(4-phenoxyphenyl)ethyl]-3-methyl-xanthine Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C20H16N4O4/c1-23-19-17(18(26)22-20(23)27)21-12-24(19)11-16(25)13-7-9-15(10-8-13)28-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,26,27)