5-[3-methoxy-5-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

Systemtic Name: 5-[3-methoxy-5-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine Openeye Name: 5-[3-methoxy-5-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine CAS Name: 5-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(3-pyrazolo[1,5-b]pyridazinyl)-2-pyrimidinamine IUPAC Name: 5-[3-methoxy-5-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine Traditional Name: [5-[3-methoxy-5-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-yl]amine Formula: C18H13F3N6O MolecularWeight: 386.33063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(F)(F)F)C2=CN=C(N=C2C3=C4C=CC=NN4N=C3)N

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C2=CN=C(N=C2C3=C4C=CC=NN4N=C3)N

InChI

InChI=1S/C18H13F3N6O/c1-28-12-6-10(5-11(7-12)18(19,20)21)13-8-23-17(22)26-16(13)14-9-25-27-15(14)3-2-4-24-27/h2-9H,1H3,(H2,22,23,26)