(2E)-4-azanyl-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: (2E)-4-azanyl-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: (2E)-4-amino-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: (2E)-4-amino-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: (2E)-4-amino-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: (2E)-4-amino-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile Formula: C16H16BrN5O MolecularWeight: 374.23514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=C(C(=NC(=C3C=C(C=CC3=O)Br)N2)N)C#N

Isomeric SMILES

C1CC(CNC1)C2=C(C(=N/C(=C/3\C=C(C=CC3=O)Br)/N2)N)C#N

InChI

InChI=1S/C16H16BrN5O/c17-10-3-4-13(23)11(6-10)16-21-14(9-2-1-5-20-8-9)12(7-18)15(19)22-16/h3-4,6,9,20-21H,1-2,5,8H2,(H2,19,22)/b16-11+