1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(6-morpholinopyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-[6-(4-morpholinyl)-4-pyrimidinyl]-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(6-morpholinopyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C17H16F3N5O4 MolecularWeight: 411.33525

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O4/c18-16(19,20)17(28-11-3-1-2-4-12(11)29-17)24-15(26)23-13-9-14(22-10-21-13)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H2,21,22,23,24,26)