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

Systemtic Name: 8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-1,3-dipropyl-9H-purine-2,6-dione Openeye Name: 7-benzyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-2,6-dione CAS Name: 8-(4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-1,3-dipropyl-9H-purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-2,6-dione Traditional Name: 7-benzyl-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-2,6-quinone Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=C3C=CC(=O)C=C3)N2)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-3-14-26-22-20(23(30)27(15-4-2)24(26)31)28(16-17-8-6-5-7-9-17)21(25-22)18-10-12-19(29)13-11-18/h5-13,25H,3-4,14-16H2,1-2H3