6-[4-bromanyl-2-(trifluoromethyloxy)phenyl]-5-quinolin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: 6-[4-bromanyl-2-(trifluoromethyloxy)phenyl]-5-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: 6-[4-bromo-2-(trifluoromethoxy)phenyl]-5-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: 6-[4-bromo-2-(trifluoromethoxy)phenyl]-5-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 6-[4-bromo-2-(trifluoromethoxy)phenyl]-5-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-[4-bromo-2-(trifluoromethoxy)phenyl]-5-(3-quinolyl)pyrimidin-4-yl]amine Formula: C20H13BrF3N5O MolecularWeight: 476.24933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C3=C(N=C(N=C3N)N)C4=C(C=C(C=C4)Br)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C3=C(N=C(N=C3N)N)C4=C(C=C(C=C4)Br)OC(F)(F)F

InChI

InChI=1S/C20H13BrF3N5O/c21-12-5-6-13(15(8-12)30-20(22,23)24)17-16(18(25)29-19(26)28-17)11-7-10-3-1-2-4-14(10)27-9-11/h1-9H,(H4,25,26,28,29)