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

Systemtic Name: 1,3-diethyl-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 7-benzyl-1,3-diethyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione CAS Name: 1,3-diethyl-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 7-benzyl-1,3-diethyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-dione Traditional Name: 7-benzyl-1,3-diethyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-9H-purine-2,6-quinone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-3-24-20-18(21(28)25(4-2)22(24)29)26(14-15-8-6-5-7-9-15)19(23-20)16-10-12-17(27)13-11-16/h5-13,23H,3-4,14H2,1-2H3