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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N4CCN(CC4)C

InChI

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