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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-3-ylpyrimidin-2-yl)urea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(3-pyridyl)pyrimidin-2-yl]urea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(3-pyridinyl)-2-pyrimidinyl]urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-3-ylpyrimidin-2-yl)urea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(3-pyridyl)pyrimidin-2-yl]urea Formula: C18H11F6N5O MolecularWeight: 427.303259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F6N5O/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)27-16(30)29-15-26-5-3-14(28-15)10-2-1-4-25-9-10/h1-9H,(H2,26,27,28,29,30)