[3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-[[4-methyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [3-[[[4-methyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-[[[4-methyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C24H33N5OS MolecularWeight: 439.61672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1CCCCN1C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C24H33N5OS/c1-18-15-22(29-10-5-4-7-19(29)2)26-24(25-18)31-17-20-8-6-9-21(16-20)23(30)28-13-11-27(3)12-14-28/h6,8-9,15-16,19H,4-5,7,10-14,17H2,1-3H3