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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-morpholin-4-yl-propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-morpholino-propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-morpholinyl)propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-morpholin-4-ylpropanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-morpholino-propionamide Formula: C19H19F3N4O4S MolecularWeight: 456.43877

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1NC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19F3N4O4S/c20-19(21,22)16-10-13(12-1-2-14-15(9-12)30-11-29-14)23-18(24-16)31-8-3-17(27)25-26-4-6-28-7-5-26/h1-2,9-10H,3-8,11H2,(H,25,27)