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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N(C)C4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N(C)C4CCCCC4

InChI

InChI=1S/C27H33N5OS/c1-20-17-25(32(2)24-12-4-3-5-13-24)31-27(30-20)34-19-21-9-8-10-22(18-21)26(33)29-16-14-23-11-6-7-15-28-23/h6-11,15,17-18,24H,3-5,12-14,16,19H2,1-2H3,(H,29,33)