4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 4-[(4-anilino-5-bromopyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C23H22BrN7O MolecularWeight: 492.37108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C23H22BrN7O/c24-20-15-27-23(30-21(20)28-18-5-2-1-3-6-18)29-19-9-7-17(8-10-19)22(32)26-11-4-13-31-14-12-25-16-31/h1-3,5-10,12,14-16H,4,11,13H2,(H,26,32)(H2,27,28,29,30)