6-azanyl-4-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile Openeye Name: 6-amino-4-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(p-tolyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile CAS Name: 6-amino-4-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-3-methyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile IUPAC Name: 6-amino-4-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile Traditional Name: 6-amino-4-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-methyl-1-(p-tolyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile Formula: C21H16BrN5O MolecularWeight: 434.28864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=C(C(=C4C=C(C=CC4=O)Br)C3=C(N2)C)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=C(C(=C4C=C(C=CC4=O)Br)C3=C(N2)C)C#N)N

InChI

InChI=1S/C21H16BrN5O/c1-11-3-6-14(7-4-11)27-21-18(12(2)26-27)19(16(10-23)20(24)25-21)15-9-13(22)5-8-17(15)28/h3-9,26H,24H2,1-2H3