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

Systemtic Name: 8-(3,5-dibutyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(4-methylphenyl)-7,9-dihydropurine-2,6-dione Openeye Name: 8-(3,5-dibutyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(p-tolyl)-7,9-dihydropurine-2,6-dione CAS Name: 8-(3,5-dibutyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-methyl-3-(4-methylphenyl)-7,9-dihydropurine-2,6-dione IUPAC Name: 8-(3,5-dibutyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(4-methylphenyl)-7,9-dihydropurine-2,6-dione Traditional Name: 8-(3,5-dibutyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(p-tolyl)-7,9-dihydropurine-2,6-quinone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-5-7-9-18-15-20(16-19(23(18)32)10-8-6-2)24-28-22-25(29-24)31(27(34)30(4)26(22)33)21-13-11-17(3)12-14-21/h11-16,28-29H,5-10H2,1-4H3