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

Systemtic Name: N-butyl-4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN5OS/c1-3-4-9-23-20(28)17-7-5-16(6-8-17)15-29-21-24-18(22)14-19(25-21)27-12-10-26(2)11-13-27/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,23,28)