3-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)urea

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)urea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-1-[4-(3-pyridyl)pyrimidin-2-yl]urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-1-[4-(3-pyridinyl)-2-pyrimidinyl]urea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-1-(4-pyridin-3-ylpyrimidin-2-yl)urea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-1-[4-(3-pyridyl)pyrimidin-2-yl]urea Formula: C19H13F6N5O MolecularWeight: 441.329839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC=CC(=N1)C2=CN=CC=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(C1=NC=CC(=N1)C2=CN=CC=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H13F6N5O/c1-30(16-27-6-4-15(29-16)11-3-2-5-26-10-11)17(31)28-14-8-12(18(20,21)22)7-13(9-14)19(23,24)25/h2-10H,1H3,(H,28,31)