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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3)N(C)C4CCCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3)N(C)C4CCCCC4

InChI

InChI=1S/C27H33N5OS/c1-3-23-17-25(32(2)24-10-5-4-6-11-24)31-27(30-23)34-19-21-8-7-9-22(16-21)26(33)29-18-20-12-14-28-15-13-20/h7-9,12-17,24H,3-6,10-11,18-19H2,1-2H3,(H,29,33)