N-ethyl-3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-ethyl-3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-ethyl-3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-ethyl-3-[[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-ethyl-3-[[[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5OS/c1-4-21-19(26)17-7-5-6-16(13-17)14-27-20-22-15(2)12-18(23-20)25-10-8-24(3)9-11-25/h5-7,12-13H,4,8-11,14H2,1-3H3,(H,21,26)