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

Systemtic Name: (2E)-4-azanyl-2-(2-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: (2E)-4-amino-2-(2-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: (2E)-4-amino-2-(2-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: (2E)-4-amino-2-(2-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: (2E)-4-amino-2-(2-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile Formula: C16H16FN5O MolecularWeight: 313.329543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=C(C(=NC(=C3C(=O)C=CC=C3F)N2)N)C#N

Isomeric SMILES

C1CC(CNC1)C2=C(C(=N/C(=C/3\C(=O)C=CC=C3F)/N2)N)C#N

InChI

InChI=1S/C16H16FN5O/c17-11-4-1-5-12(23)13(11)16-21-14(9-3-2-6-20-8-9)10(7-18)15(19)22-16/h1,4-5,9,20-21H,2-3,6,8H2,(H2,19,22)/b16-13-