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

Systemtic Name: 3-bromanyl-N-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-N-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-N-[(1-oxido-4-pyridin-1-iumyl)methyl]-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-N-[(1-oxidopyridin-1-ium-4-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-4-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=CC=[N+](C=C4)[O-])Br

Isomeric SMILES

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

InChI

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