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

Systemtic Name: 4-[[5-bromanyl-4-(pyridin-2-ylamino)pyrimidin-2-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 4-[[5-bromo-4-(2-pyridylamino)pyrimidin-2-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 4-[[5-bromo-4-(2-pyridinylamino)-2-pyrimidinyl]amino]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 4-[[5-bromo-4-(pyridin-2-ylamino)pyrimidin-2-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 4-[[5-bromo-4-(2-pyridylamino)pyrimidin-2-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C22H21BrN8O MolecularWeight: 493.35914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN8O/c23-18-14-27-22(30-20(18)29-19-4-1-2-9-25-19)28-17-7-5-16(6-8-17)21(32)26-10-3-12-31-13-11-24-15-31/h1-2,4-9,11,13-15H,3,10,12H2,(H,26,32)(H2,25,27,28,29,30)