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

Systemtic Name: 3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 3-[[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-[[[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)N4CCN(CC4)C

InChI

InChI=1S/C24H28N6OS/c1-18-14-22(30-12-10-29(2)11-13-30)28-24(27-18)32-17-19-6-5-7-20(15-19)23(31)26-16-21-8-3-4-9-25-21/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,26,31)