4-(1-azanylethyl)-2-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide

Systemtic Name: 4-(1-azanylethyl)-2-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide Openeye Name: 4-(1-aminoethyl)-2-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide CAS Name: 4-(1-aminoethyl)-2-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide IUPAC Name: 4-(1-aminoethyl)-2-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide Traditional Name: 4-(1-aminoethyl)-2-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide hydrate dihydrobromide Formula: C15H18Br2N6O4 MolecularWeight: 506.14922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O3.2BrH.H2O/c1-8(16)9-2-3-10(13(6-9)21(23)24)15(22)19-12-4-5-17-14-11(12)7-18-20-14;;;/h2-8H,16H2,1H3,(H2,17,18,19,20,22);2*1H;1H2