2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C13H16F3N3O2S MolecularWeight: 335.34525

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C13H16F3N3O2S/c14-13(15,16)9-7-10(20)18-12(17-9)22-8-11(21)19-5-3-1-2-4-6-19/h7H,1-6,8H2,(H,17,18,20)