4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4,5-dimethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4,5-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4,5-dimethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCN(CC2)C)SCC3=CC=C(C=C3)C(=O)NC(C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCN(CC2)C)SCC3=CC=C(C=C3)C(=O)NC(C)C)C

InChI

InChI=1S/C22H31N5OS/c1-15(2)23-21(28)19-8-6-18(7-9-19)14-29-22-24-17(4)16(3)20(25-22)27-12-10-26(5)11-13-27/h6-9,15H,10-14H2,1-5H3,(H,23,28)