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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)N(C)C4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C26H31N5OS/c1-19-14-24(31(2)23-11-4-3-5-12-23)30-26(29-19)33-18-20-8-6-10-22(15-20)25(32)28-17-21-9-7-13-27-16-21/h6-10,13-16,23H,3-5,11-12,17-18H2,1-2H3,(H,28,32)