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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(cyclopropylmethyl)benzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(cyclopropylmethyl)benzamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N(C)C4CCCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N(C)C4CCCCC4

InChI

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