3-bromanyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide

Systemtic Name: 3-bromanyl-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide Openeye Name: 3-bromo-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide CAS Name: 3-bromo-N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]benzamide IUPAC Name: 3-bromo-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide Traditional Name: 3-bromo-N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzamide Formula: C26H21BrN6O MolecularWeight: 513.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H21BrN6O/c1-17(18-6-3-2-4-7-18)30-26-28-13-12-24(32-26)33-16-29-22-15-21(10-11-23(22)33)31-25(34)19-8-5-9-20(27)14-19/h2-17H,1H3,(H,31,34)(H,28,30,32)