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

Systemtic Name: 4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)N4CCN(CC4)C

InChI

InChI=1S/C25H30N6OS/c1-3-21-16-23(31-14-12-30(2)13-15-31)29-25(28-21)33-18-19-7-9-20(10-8-19)24(32)27-17-22-6-4-5-11-26-22/h4-11,16H,3,12-15,17-18H2,1-2H3,(H,27,32)