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

Systemtic Name: 1-(azepan-1-yl)-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propan-1-one Formula: C18H20F3N3O2S MolecularWeight: 399.43051

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C18H20F3N3O2S/c19-18(20,21)15-12-13(14-6-5-10-26-14)22-17(23-15)27-11-7-16(25)24-8-3-1-2-4-9-24/h5-6,10,12H,1-4,7-9,11H2