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

Systemtic Name: N-butyl-3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-butyl-benzamide CAS Name: N-butyl-3-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-butylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-butyl-benzamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32ClN5OS/c1-2-3-12-29-26(34)23-11-7-10-22(17-23)20-35-27-30-24(28)18-25(31-27)33-15-13-32(14-16-33)19-21-8-5-4-6-9-21/h4-11,17-18H,2-3,12-16,19-20H2,1H3,(H,29,34)