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

Systemtic Name: 7-ethyl-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-8-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 7-ethyl-8-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-8-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-8-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-quinone Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(NC1=C3C=CC(=O)C(=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(NC1=C3C=CC(=O)C(=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-3-24-17-19(22-18(24)14-9-10-15(26)16(11-14)29-2)25(21(28)23-20(17)27)12-13-7-5-4-6-8-13/h4-11,22H,3,12H2,1-2H3,(H,23,27,28)