4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-methyl-6-piperidino-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C18H20N4S MolecularWeight: 324.4432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)N3CCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)N3CCCCC3

InChI

InChI=1S/C18H20N4S/c1-14-11-17(22-9-3-2-4-10-22)21-18(20-14)23-13-16-7-5-15(12-19)6-8-16/h5-8,11H,2-4,9-10,13H2,1H3