1,3-dimethyl-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 7-benzyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dimethyl-9H-purine-2,6-quinone Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3/c1-22-18-16(19(26)23(2)20(22)27)24(12-13-6-4-3-5-7-13)17(21-18)14-8-10-15(25)11-9-14/h3-11,21H,12H2,1-2H3