benzenesulfonic acid; 6-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 6-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 6-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 6-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 6-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(3H-benzimidazol-5-yl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine; besylic acid Formula: C24H18F3N5O3S MolecularWeight: 513.49163

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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=C(C=C3)N=CN4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(F)(F)F)NC2=NC=NC(=C2)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C18H12F3N5.C6H6O3S/c19-18(20,21)12-2-4-13(5-3-12)26-17-8-15(23-10-25-17)11-1-6-14-16(7-11)24-9-22-14;7-10(8,9)6-4-2-1-3-5-6/h1-10H,(H,22,24)(H,23,25,26);1-5H,(H,7,8,9)