3-[3-bromanyl-7-[(1-oxidanidylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[3-bromanyl-7-[(1-oxidanidylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 3-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzonitrile CAS Name: 3-[3-bromo-7-[(1-oxido-3-pyridin-1-iumyl)methylamino]-5-pyrazolo[1,5-a]pyrimidinyl]benzonitrile IUPAC Name: 3-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzonitrile Traditional Name: 3-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]benzonitrile Formula: C19H13BrN6O MolecularWeight: 421.25012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br)C#N

InChI

InChI=1S/C19H13BrN6O/c20-16-11-23-26-18(22-10-14-4-2-6-25(27)12-14)8-17(24-19(16)26)15-5-1-3-13(7-15)9-21/h1-8,11-12,22H,10H2