2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]-N-(1-phenylethyl)acetamide Formula: C21H27ClN4OS MolecularWeight: 418.98328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N(C)C3CCCCC3

InChI

InChI=1S/C21H27ClN4OS/c1-15(16-9-5-3-6-10-16)23-20(27)14-28-21-24-18(22)13-19(25-21)26(2)17-11-7-4-8-12-17/h3,5-6,9-10,13,15,17H,4,7-8,11-12,14H2,1-2H3,(H,23,27)