3-bromanyl-5-(4-chlorophenyl)-N-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-bromanyl-5-(4-chlorophenyl)-N-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-5-(4-chlorophenyl)-N-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-5-(4-chlorophenyl)-N-[(1-oxido-4-pyridin-1-iumyl)methyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-5-(4-chlorophenyl)-N-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-bromo-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(1-oxidopyridin-1-ium-4-yl)methyl]amine Formula: C18H13BrClN5O MolecularWeight: 430.68572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)NCC4=CC=[N+](C=C4)[O-])Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)NCC4=CC=[N+](C=C4)[O-])Br)Cl

InChI

InChI=1S/C18H13BrClN5O/c19-15-11-22-25-17(21-10-12-5-7-24(26)8-6-12)9-16(23-18(15)25)13-1-3-14(20)4-2-13/h1-9,11,21H,10H2