4-(aminomethyl)-3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide dihydrate dihydrobromide

Systemtic Name: 4-(aminomethyl)-3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide dihydrate dihydrobromide Openeye Name: 4-(aminomethyl)-3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide dihydrate dihydrobromide CAS Name: 4-(aminomethyl)-3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide dihydrate dihydrobromide IUPAC Name: 4-(aminomethyl)-3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide dihydrate dihydrobromide Traditional Name: 4-(aminomethyl)-3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide dihydrate dihydrobromide Formula: C14H18Br2N6O5 MolecularWeight: 510.13792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C3C=NNC3=NC=C2)[N+](=O)[O-])CN.O.O.Br.Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C3C=NNC3=NC=C2)[N+](=O)[O-])CN.O.O.Br.Br

InChI

InChI=1S/C14H12N6O3.2BrH.2H2O/c15-6-9-2-1-8(5-12(9)20(22)23)14(21)18-11-3-4-16-13-10(11)7-17-19-13;;;;/h1-5,7H,6,15H2,(H2,16,17,18,19,21);2*1H;2*1H2