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

Systemtic Name: N2-(3H-benzimidazol-5-yl)-5-bromanyl-N4-(4-pyridin-3-yloxyphenyl)pyrimidine-2,4-diamine Openeye Name: N2-(3H-benzimidazol-5-yl)-5-bromo-N4-[4-(3-pyridyloxy)phenyl]pyrimidine-2,4-diamine CAS Name: N2-(3H-benzimidazol-5-yl)-5-bromo-N4-[4-(3-pyridinyloxy)phenyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3H-benzimidazol-5-yl)-5-bromo-4-N-(4-pyridin-3-yloxyphenyl)pyrimidine-2,4-diamine Traditional Name: 3H-benzimidazol-5-yl-[5-bromo-4-[4-(3-pyridyloxy)anilino]pyrimidin-2-yl]amine Formula: C22H16BrN7O MolecularWeight: 474.31274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=CC=C(C=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1=CC(=CN=C1)OC2=CC=C(C=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C22H16BrN7O/c23-18-12-25-22(29-15-5-8-19-20(10-15)27-13-26-19)30-21(18)28-14-3-6-16(7-4-14)31-17-2-1-9-24-11-17/h1-13H,(H,26,27)(H2,25,28,29,30)