(2E)-4-azanyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile hydrochloride

Systemtic Name: (2E)-4-azanyl-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile hydrochloride Openeye Name: (2E)-4-amino-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile hydrochloride CAS Name: (2E)-4-amino-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile hydrochloride IUPAC Name: (2E)-4-amino-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile hydrochloride Traditional Name: (2E)-4-amino-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile hydrochloride Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=C(C(=NC(=C3C=CC=CC3=O)N2)N)C#N.Cl

Isomeric SMILES

C1CC(CNC1)C2=C(C(=N/C(=C/3\C=CC=CC3=O)/N2)N)C#N.Cl

InChI

InChI=1S/C16H17N5O.ClH/c17-8-12-14(10-4-3-7-19-9-10)20-16(21-15(12)18)11-5-1-2-6-13(11)22;/h1-2,5-6,10,19-20H,3-4,7,9H2,(H2,18,21);1H/b16-11+;