benzenesulfonic acid; 5-methyl-6-(1-methylbenzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: benzenesulfonic acid; 5-methyl-6-(1-methylbenzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: benzenesulfonic acid; 5-methyl-6-(1-methylbenzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: benzenesulfonic acid; 5-methyl-6-(1-methyl-5-benzimidazolyl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: benzenesulfonic acid; 5-methyl-6-(1-methylbenzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: besylic acid; [5-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C26H22F3N5O3S MolecularWeight: 541.54479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)N(C=N4)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=CN=C1NC2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)N(C=N4)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H16F3N5.C6H6O3S/c1-12-18(13-3-8-17-16(9-13)26-11-28(17)2)24-10-25-19(12)27-15-6-4-14(5-7-15)20(21,22)23;7-10(8,9)6-4-2-1-3-5-6/h3-11H,1-2H3,(H,24,25,27);1-5H,(H,7,8,9)