2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]-N-(2-pyridylmethyl)acetamide Formula: C23H25ClN6OS MolecularWeight: 469.0022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=N4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CC=N4)Cl

InChI

InChI=1S/C23H25ClN6OS/c1-17-6-2-3-8-19(17)29-10-12-30(13-11-29)21-14-20(24)27-23(28-21)32-16-22(31)26-15-18-7-4-5-9-25-18/h2-9,14H,10-13,15-16H2,1H3,(H,26,31)