2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C18H29ClN4OS MolecularWeight: 384.96706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)C2CCCCC2

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N(C)C2CCCCC2

InChI

InChI=1S/C18H29ClN4OS/c1-13(2)9-10-20-17(24)12-25-18-21-15(19)11-16(22-18)23(3)14-7-5-4-6-8-14/h11,13-14H,4-10,12H2,1-3H3,(H,20,24)