4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexane-1-carboxamide hydrate dihydrobromide

Systemtic Name: 4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexane-1-carboxamide hydrate dihydrobromide Openeye Name: 4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexanecarboxamide hydrate dihydrobromide CAS Name: 4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1-cyclohexanecarboxamide hydrate dihydrobromide IUPAC Name: 4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexane-1-carboxamide hydrate dihydrobromide Traditional Name: 4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexanecarboxamide hydrate dihydrobromide Formula: C14H23Br2N5O2 MolecularWeight: 453.17272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC2=C3C=NNC3=NC=C2.O.Br.Br

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC2=C3C=NNC3=NC=C2.O.Br.Br

InChI

InChI=1S/C14H19N5O.2BrH.H2O/c15-7-9-1-3-10(4-2-9)14(20)18-12-5-6-16-13-11(12)8-17-19-13;;;/h5-6,8-10H,1-4,7,15H2,(H2,16,17,18,19,20);2*1H;1H2