9-(4-tert-butylphenyl)-8-oxidanylidene-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-8-oxidanylidene-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-8-oxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-8-oxo-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-8-oxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-8-keto-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=C4C=CC(=O)C=C4)NC(=C3NC2=O)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=C4C=CC(=O)C=C4)NC(=C3NC2=O)C(=O)N

InChI

InChI=1S/C22H21N5O3/c1-22(2,3)13-6-8-14(9-7-13)27-20-17(25-21(27)30)16(18(23)29)24-19(26-20)12-4-10-15(28)11-5-12/h4-11,24H,1-3H3,(H2,23,29)(H,25,30)