3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-ethyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-ethyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C25H31N5O2S MolecularWeight: 465.61094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N4CCN(CC4)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N4CCN(CC4)CC

InChI

InChI=1S/C25H31N5O2S/c1-3-21-16-23(30-12-10-29(4-2)11-13-30)28-25(27-21)33-18-19-7-5-8-20(15-19)24(31)26-17-22-9-6-14-32-22/h5-9,14-16H,3-4,10-13,17-18H2,1-2H3,(H,26,31)