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

Systemtic Name: (2E)-4-azanyl-2-(3-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile hydrochloride Openeye Name: (2E)-4-amino-2-(3-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile hydrochloride CAS Name: (2E)-4-amino-2-(3-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile hydrochloride IUPAC Name: (2E)-4-amino-2-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile hydrochloride Traditional Name: (2E)-4-amino-2-(3-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile hydrochloride Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2.ClH/c17-7-12-14(9-2-1-5-19-8-9)20-16(21-15(12)18)11-6-10(22)3-4-13(11)23;/h3-4,6,9,19-20,22H,1-2,5,8H2,(H2,18,21);1H/b16-11+;