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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H27ClN4OS/c1-26(17-10-6-3-7-11-17)19-14-18(22)24-21(25-19)28-15-20(27)23-13-12-16-8-4-2-5-9-16/h2,4-5,8-9,14,17H,3,6-7,10-13,15H2,1H3,(H,23,27)