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

Systemtic Name: 3-[[4-chloranyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C25H33ClN4OS MolecularWeight: 473.07372

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCCCC4)Cl

Isomeric SMILES

CN(C1CCCCC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCCCC4)Cl

InChI

InChI=1S/C25H33ClN4OS/c1-30(21-13-6-3-7-14-21)23-16-22(26)28-25(29-23)32-17-18-9-8-10-19(15-18)24(31)27-20-11-4-2-5-12-20/h8-10,15-16,20-21H,2-7,11-14,17H2,1H3,(H,27,31)