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

Systemtic Name: 8-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(4-methylphenyl)-7,9-dihydropurine-2,6-dione Openeye Name: 8-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(p-tolyl)-7,9-dihydropurine-2,6-dione CAS Name: 8-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-methyl-3-(4-methylphenyl)-7,9-dihydropurine-2,6-dione IUPAC Name: 8-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1-methyl-3-(4-methylphenyl)-7,9-dihydropurine-2,6-dione Traditional Name: 8-(3,5-ditert-butyl-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:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)C)NC(=C4C=C(C(=O)C(=C4)C(C)(C)C)C(C)(C)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)C)NC(=C4C=C(C(=O)C(=C4)C(C)(C)C)C(C)(C)C)N3

InChI

InChI=1S/C27H32N4O3/c1-15-9-11-17(12-10-15)31-23-20(24(33)30(8)25(31)34)28-22(29-23)16-13-18(26(2,3)4)21(32)19(14-16)27(5,6)7/h9-14,28-29H,1-8H3