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

Systemtic Name: (2Z)-9-(4-tert-butylphenyl)-8-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Openeye Name: (2Z)-9-(4-tert-butylphenyl)-8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide CAS Name: (2Z)-9-(4-tert-butylphenyl)-8-oxo-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,7-dihydropurine-6-carboxamide IUPAC Name: (2Z)-9-(4-tert-butylphenyl)-8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Traditional Name: (2Z)-9-(4-tert-butylphenyl)-8-keto-2-(6-ketocyclohexa-2,4-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=CC4=O)NC(=C3NC2=O)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=N/C(=C\4/C=CC=CC4=O)/NC(=C3NC2=O)C(=O)N

InChI

InChI=1S/C22H21N5O3/c1-22(2,3)12-8-10-13(11-9-12)27-20-17(25-21(27)30)16(18(23)29)24-19(26-20)14-6-4-5-7-15(14)28/h4-11,24H,1-3H3,(H2,23,29)(H,25,30)/b19-14-