benzenesulfonic acid; 6-quinolin-7-yl-N4-[5-(trifluoromethyl)pyridin-2-yl]pyrimidine-4,5-diamine

Systemtic Name: benzenesulfonic acid; 6-quinolin-7-yl-N4-[5-(trifluoromethyl)pyridin-2-yl]pyrimidine-4,5-diamine Openeye Name: benzenesulfonic acid; 6-(7-quinolyl)-N4-[5-(trifluoromethyl)-2-pyridyl]pyrimidine-4,5-diamine CAS Name: benzenesulfonic acid; 6-(7-quinolinyl)-N4-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine IUPAC Name: benzenesulfonic acid; 6-quinolin-7-yl-4-N-[5-(trifluoromethyl)pyridin-2-yl]pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(7-quinolyl)pyrimidin-4-yl]-[5-(trifluoromethyl)-2-pyridyl]amine; besylic acid Formula: C25H19F3N6O3S MolecularWeight: 540.51697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C(C=C2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)C(F)(F)F)N)N=C1

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C(C=C2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)C(F)(F)F)N)N=C1

InChI

InChI=1S/C19H13F3N6.C6H6O3S/c20-19(21,22)13-5-6-15(25-9-13)28-18-16(23)17(26-10-27-18)12-4-3-11-2-1-7-24-14(11)8-12;7-10(8,9)6-4-2-1-3-5-6/h1-10H,23H2,(H,25,26,27,28);1-5H,(H,7,8,9)