3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholino-propan-1-one CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-morpholino-propan-1-one Formula: C19H18F3N3O4S MolecularWeight: 441.42413

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18F3N3O4S/c20-19(21,22)16-10-13(12-1-2-14-15(9-12)29-11-28-14)23-18(24-16)30-8-3-17(26)25-4-6-27-7-5-25/h1-2,9-10H,3-8,11H2