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

Systemtic Name: 6-[2,3-bis(trifluoromethyl)phenyl]-5-quinolin-3-yl-pyrimidine-2,4-diamine Openeye Name: 6-[2,3-bis(trifluoromethyl)phenyl]-5-(3-quinolyl)pyrimidine-2,4-diamine CAS Name: 6-[2,3-bis(trifluoromethyl)phenyl]-5-(3-quinolinyl)pyrimidine-2,4-diamine IUPAC Name: 6-[2,3-bis(trifluoromethyl)phenyl]-5-quinolin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-[2,3-bis(trifluoromethyl)phenyl]-5-(3-quinolyl)pyrimidin-4-yl]amine Formula: C21H13F6N5 MolecularWeight: 449.351839

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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(=CC=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H13F6N5/c22-20(23,24)13-6-3-5-12(16(13)21(25,26)27)17-15(18(28)32-19(29)31-17)11-8-10-4-1-2-7-14(10)30-9-11/h1-9H,(H4,28,29,31,32)