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

Systemtic Name: N4-(3H-benzimidazol-5-yl)-N2-(4-bromophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine Openeye Name: N4-(3H-benzimidazol-5-yl)-N2-(4-bromophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine CAS Name: N4-(3H-benzimidazol-5-yl)-N2-(4-bromophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3H-benzimidazol-5-yl)-2-N-(4-bromophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine Traditional Name: 3H-benzimidazol-5-yl-[2-(4-bromoanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C18H12BrF3N6 MolecularWeight: 449.22729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CN4)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CN4)C(F)(F)F)Br

InChI

InChI=1S/C18H12BrF3N6/c19-10-1-3-11(4-2-10)27-17-23-8-13(18(20,21)22)16(28-17)26-12-5-6-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)