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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N(C)C3CCCCC3

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N(C)C3CCCCC3

InChI

InChI=1S/C25H36N4O2S/c1-18(2)22-16-23(29(3)21-11-6-5-7-12-21)28-25(27-22)32-17-19-9-8-10-20(15-19)24(30)26-13-14-31-4/h8-10,15-16,18,21H,5-7,11-14,17H2,1-4H3,(H,26,30)