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

Systemtic Name: N-cyclopropyl-3-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCN(CC4)C

InChI

InChI=1S/C22H29N5OS/c1-3-18-14-20(27-11-9-26(2)10-12-27)25-22(24-18)29-15-16-5-4-6-17(13-16)21(28)23-19-7-8-19/h4-6,13-14,19H,3,7-12,15H2,1-2H3,(H,23,28)