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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-isopropyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N(C)C4CCCCC4

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N(C)C4CCCCC4

InChI

InChI=1S/C25H34N4OS/c1-17(2)22-15-23(29(3)21-10-5-4-6-11-21)28-25(27-22)31-16-18-8-7-9-19(14-18)24(30)26-20-12-13-20/h7-9,14-15,17,20-21H,4-6,10-13,16H2,1-3H3,(H,26,30)