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

Systemtic Name: (2E)-4-azanyl-2-[6-oxidanylidene-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: (2E)-4-amino-2-[6-oxo-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: (2E)-4-amino-2-[6-oxo-2-(trifluoromethyl)-1-cyclohexa-2,4-dienylidene]-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: (2E)-4-amino-2-[6-oxo-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: (2E)-4-amino-2-[6-keto-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile Formula: C17H16F3N5O MolecularWeight: 363.33705

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=C(C(=NC(=C3C(=O)C=CC=C3C(F)(F)F)N2)N)C#N

Isomeric SMILES

C1CC(CNC1)C2=C(C(=N/C(=C\3/C(=O)C=CC=C3C(F)(F)F)/N2)N)C#N

InChI

InChI=1S/C17H16F3N5O/c18-17(19,20)11-4-1-5-12(26)13(11)16-24-14(9-3-2-6-23-8-9)10(7-21)15(22)25-16/h1,4-5,9,23-24H,2-3,6,8H2,(H2,22,25)/b16-13+