8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-methyl-3-(phenylmethyl)-9H-purine-2,6-dione

Systemtic Name: 8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-methyl-3-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 3-benzyl-8-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-7-methyl-9H-purine-2,6-dione CAS Name: 8-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-7-methyl-3-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 3-benzyl-8-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-7-methyl-9H-purine-2,6-dione Traditional Name: 3-benzyl-8-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-7-methyl-9H-purine-2,6-quinone Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=C3C=CC(=O)C(=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(NC1=C3C=CC(=O)C(=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O4/c1-23-16-18(21-17(23)13-8-9-14(25)15(10-13)28-2)24(20(27)22-19(16)26)11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3,(H,22,26,27)