1-(azepan-1-yl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propan-1-one Formula: C21H24F3N3O2S MolecularWeight: 439.49437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCCCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O2S/c1-29-16-8-6-15(7-9-16)17-14-18(21(22,23)24)26-20(25-17)30-13-10-19(28)27-11-4-2-3-5-12-27/h6-9,14H,2-5,10-13H2,1H3