4-(1-azanyl-2-oxidanyl-ethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide

Systemtic Name: 4-(1-azanyl-2-oxidanyl-ethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide Openeye Name: 4-(1-amino-2-hydroxy-ethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide CAS Name: 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide IUPAC Name: 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide Traditional Name: 4-(1-amino-2-hydroxy-ethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide Formula: C15H19Br2N5O3 MolecularWeight: 477.15106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CO)N)C(=O)NC2=C3C=NNC3=NC=C2.O.Br.Br

Isomeric SMILES

C1=CC(=CC=C1C(CO)N)C(=O)NC2=C3C=NNC3=NC=C2.O.Br.Br

InChI

InChI=1S/C15H15N5O2.2BrH.H2O/c16-12(8-21)9-1-3-10(4-2-9)15(22)19-13-5-6-17-14-11(13)7-18-20-14;;;/h1-7,12,21H,8,16H2,(H2,17,18,19,20,22);2*1H;1H2