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

Systemtic Name: 1-(6-piperidin-1-ylpyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-[6-(1-piperidyl)pyrimidin-4-yl]-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-[6-(1-piperidinyl)-4-pyrimidinyl]-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(6-piperidin-1-ylpyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(6-piperidinopyrimidin-4-yl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C18H18F3N5O3 MolecularWeight: 409.36243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)NC(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C18H18F3N5O3/c19-17(20,21)18(28-12-6-2-3-7-13(12)29-18)25-16(27)24-14-10-15(23-11-22-14)26-8-4-1-5-9-26/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,22,23,24,25,27)