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

Systemtic Name: 3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(3-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=CN=CC=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)N4CCN(CC4)C

InChI

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