3-[[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C31H32ClN5OS MolecularWeight: 558.13668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C31H32ClN5OS/c1-23-8-5-6-13-27(23)36-16-18-37(19-17-36)29-21-28(32)34-31(35-29)39-22-25-11-7-12-26(20-25)30(38)33-15-14-24-9-3-2-4-10-24/h2-13,20-21H,14-19,22H2,1H3,(H,33,38)