2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[4-(trifluoromethyloxy)phenyl]pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[4-(trifluoromethyloxy)phenyl]pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide Traditional Name: 4-methyl-2-(piperonylamino)-N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide Formula: C21H17F3N4O4 MolecularWeight: 446.37929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)OC(F)(F)F)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)OC(F)(F)F)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17F3N4O4/c1-12-16(19(29)28-14-3-5-15(6-4-14)32-21(22,23)24)10-26-20(27-12)25-9-13-2-7-17-18(8-13)31-11-30-17/h2-8,10H,9,11H2,1H3,(H,28,29)(H,25,26,27)