N2-(3H-benzimidazol-5-yl)-N4-(4-chlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(3H-benzimidazol-5-yl)-N4-(4-chlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine Openeye Name: N2-(3H-benzimidazol-5-yl)-N4-(4-chlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine CAS Name: N2-(3H-benzimidazol-5-yl)-N4-(4-chlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3H-benzimidazol-5-yl)-4-N-(4-chlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine Traditional Name: 3H-benzimidazol-5-yl-[4-(4-chloroanilino)-5-(trifluoromethyl)pyrimidin-2-yl]amine Formula: C18H12ClF3N6 MolecularWeight: 404.77629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)N=CN4)Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)N=CN4)Cl

InChI

InChI=1S/C18H12ClF3N6/c19-10-1-3-11(4-2-10)26-16-13(18(20,21)22)8-23-17(28-16)27-12-5-6-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)