3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

Systemtic Name: 3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methyl-1-piperidyl)propyl]benzamide CAS Name: 3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-[3-(2-methyl-1-piperidinyl)propyl]benzamide IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]-N-[3-(2-methylpiperidino)propyl]benzamide Formula: C29H36ClN5OS MolecularWeight: 538.14704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C29H36ClN5OS/c1-22-10-6-7-16-35(22)17-9-15-31-28(36)25-14-8-13-24(18-25)21-37-29-32-26(30)19-27(33-29)34(2)20-23-11-4-3-5-12-23/h3-5,8,11-14,18-19,22H,6-7,9-10,15-17,20-21H2,1-2H3,(H,31,36)