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

Systemtic Name: N-butan-2-yl-3-[[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-[[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-3-[[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C27H32ClN5OS/c1-4-20(3)29-26(34)22-10-7-9-21(16-22)18-35-27-30-24(28)17-25(31-27)33-14-12-32(13-15-33)23-11-6-5-8-19(23)2/h5-11,16-17,20H,4,12-15,18H2,1-3H3,(H,29,34)