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

Systemtic Name: 8-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)-9H-purine-2,6-dione Openeye Name: 3-benzyl-8-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-7-(tetrahydrofuran-2-ylmethyl)-9H-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-7-(2-oxolanylmethyl)-3-(phenylmethyl)-9H-purine-2,6-dione IUPAC Name: 3-benzyl-8-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-7-(oxolan-2-ylmethyl)-9H-purine-2,6-dione Traditional Name: 3-benzyl-8-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)-7-(tetrahydrofurfuryl)-9H-purine-2,6-quinone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2NC3=C(N2CC4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=C2NC3=C(N2CC4CCCO4)C(=O)NC(=O)N3CC5=CC=CC=C5)C=C(C1=O)C

InChI

InChI=1S/C25H26N4O4/c1-15-11-18(12-16(2)21(15)30)22-26-23-20(28(22)14-19-9-6-10-33-19)24(31)27-25(32)29(23)13-17-7-4-3-5-8-17/h3-5,7-8,11-12,19,26H,6,9-10,13-14H2,1-2H3,(H,27,31,32)