(2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(4-tert-butylphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide

Systemtic Name: (2Z)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-9-(4-tert-butylphenyl)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: (2Z)-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-9-(4-tert-butylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: (2Z)-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-9-(4-tert-butylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: (2Z)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-9-(4-tert-butylphenyl)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: (2Z)-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-9-(4-tert-butylphenyl)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C22H20BrN5O3 MolecularWeight: 482.3299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=C4C=C(C=CC4=O)Br)NC(=C3NC2=O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN5O3/c1-22(2,3)11-4-7-13(8-5-11)28-20-17(26-21(28)31)16(18(24)30)25-19(27-20)14-10-12(23)6-9-15(14)29/h4-10,25H,1-3H3,(H2,24,30)(H,26,31)/b19-14-