3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C23H22BrN7O MolecularWeight: 492.37108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCCCN4C=CN=C4

InChI

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