3-bromanyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-bromanyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-N-[(1-oxido-3-pyridin-1-iumyl)methyl]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C18H14BrN5O MolecularWeight: 396.24066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O/c19-15-11-21-24-17(20-10-13-5-4-8-23(25)12-13)9-16(22-18(15)24)14-6-2-1-3-7-14/h1-9,11-12,20H,10H2