benzenesulfonic acid; 6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 6-(6-quinoxalinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 6-quinoxalin-6-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; (6-quinoxalin-6-ylpyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]amine Formula: C25H18F3N5O3S MolecularWeight: 525.50233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(F)(F)F)NC2=NC=NC(=C2)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(F)(F)F)NC2=NC=NC(=C2)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C19H12F3N5.C6H6O3S/c20-19(21,22)13-2-4-14(5-3-13)27-18-10-16(25-11-26-18)12-1-6-15-17(9-12)24-8-7-23-15;7-10(8,9)6-4-2-1-3-5-6/h1-11H,(H,25,26,27);1-5H,(H,7,8,9)