8-(3,5-dibutyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-phenyl-7,9-dihydropurine-2,6-dione

Systemtic Name: 8-(3,5-dibutyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-phenyl-7,9-dihydropurine-2,6-dione Openeye Name: 8-(3,5-dibutyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-phenyl-7,9-dihydropurine-2,6-dione CAS Name: 8-(3,5-dibutyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-methyl-3-phenyl-7,9-dihydropurine-2,6-dione IUPAC Name: 8-(3,5-dibutyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1-methyl-3-phenyl-7,9-dihydropurine-2,6-dione Traditional Name: 8-(3,5-dibutyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-phenyl-7,9-dihydropurine-2,6-quinone Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2NC3=C(N2)N(C(=O)N(C3=O)C)C4=CC=CC=C4)C=C(C1=O)CCCC

Isomeric SMILES

CCCCC1=CC(=C2NC3=C(N2)N(C(=O)N(C3=O)C)C4=CC=CC=C4)C=C(C1=O)CCCC

InChI

InChI=1S/C26H30N4O3/c1-4-6-11-17-15-19(16-18(22(17)31)12-7-5-2)23-27-21-24(28-23)30(20-13-9-8-10-14-20)26(33)29(3)25(21)32/h8-10,13-16,27-28H,4-7,11-12H2,1-3H3