1-(5-cyanopyridin-2-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]isonipecotamide Formula: C24H24N6OS MolecularWeight: 444.55196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)C

InChI

InChI=1S/C24H24N6OS/c1-16-13-17(2)28-24(27-16)32-21-6-4-20(5-7-21)29-23(31)19-9-11-30(12-10-19)22-8-3-18(14-25)15-26-22/h3-8,13,15,19H,9-12H2,1-2H3,(H,29,31)