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

Systemtic Name: 8-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-(4-fluorophenyl)-1-methyl-7,9-dihydropurine-2,6-dione Openeye Name: 8-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-(4-fluorophenyl)-1-methyl-7,9-dihydropurine-2,6-dione CAS Name: 8-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-3-(4-fluorophenyl)-1-methyl-7,9-dihydropurine-2,6-dione IUPAC Name: 8-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(4-fluorophenyl)-1-methyl-7,9-dihydropurine-2,6-dione Traditional Name: 8-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-(4-fluorophenyl)-1-methyl-7,9-dihydropurine-2,6-quinone Formula: C26H29FN4O3 MolecularWeight: 464.531863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN4O3/c1-25(2,3)17-12-14(13-18(20(17)32)26(4,5)6)21-28-19-22(29-21)31(24(34)30(7)23(19)33)16-10-8-15(27)9-11-16/h8-13,28-29H,1-7H3