4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Openeye Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(4-phenylbutan-2-yl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(1-methyl-3-phenyl-propyl)benzamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C

InChI

InChI=1S/C27H32ClN5OS/c1-20(8-9-21-6-4-3-5-7-21)29-26(34)23-12-10-22(11-13-23)19-35-27-30-24(28)18-25(31-27)33-16-14-32(2)15-17-33/h3-7,10-13,18,20H,8-9,14-17,19H2,1-2H3,(H,29,34)