3-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C27H31ClN4OS MolecularWeight: 495.07924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H31ClN4OS/c1-32(23-13-6-3-7-14-23)25-18-24(28)30-27(31-25)34-19-21-11-8-12-22(17-21)26(33)29-16-15-20-9-4-2-5-10-20/h2,4-5,8-12,17-18,23H,3,6-7,13-16,19H2,1H3,(H,29,33)