N2-(3H-benzimidazol-5-yl)-5-bromanyl-N4-(4-fluorophenyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(3H-benzimidazol-5-yl)-5-bromanyl-N4-(4-fluorophenyl)pyrimidine-2,4-diamine Openeye Name: N2-(3H-benzimidazol-5-yl)-5-bromo-N4-(4-fluorophenyl)pyrimidine-2,4-diamine CAS Name: N2-(3H-benzimidazol-5-yl)-5-bromo-N4-(4-fluorophenyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3H-benzimidazol-5-yl)-5-bromo-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine Traditional Name: 3H-benzimidazol-5-yl-[5-bromo-4-(4-fluoroanilino)pyrimidin-2-yl]amine Formula: C17H12BrFN6 MolecularWeight: 399.219783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N=CN4)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N=CN4)F

InChI

InChI=1S/C17H12BrFN6/c18-13-8-20-17(24-12-5-6-14-15(7-12)22-9-21-14)25-16(13)23-11-3-1-10(19)2-4-11/h1-9H,(H,21,22)(H2,20,23,24,25)