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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C31H33N5OS MolecularWeight: 523.69162

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CN(C1CCCCC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C31H33N5OS/c1-36(27-15-6-3-7-16-27)29-19-28(25-12-4-2-5-13-25)34-31(35-29)38-22-23-10-8-14-26(18-23)30(37)33-21-24-11-9-17-32-20-24/h2,4-5,8-14,17-20,27H,3,6-7,15-16,21-22H2,1H3,(H,33,37)