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

Systemtic Name: 3-bromanyl-5-(oxan-4-yl)-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-5-(4-oxanyl)-N-[(1-oxido-3-pyridin-1-iumyl)methyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-5-(oxan-4-yl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (3-bromo-5-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidin-7-yl)-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C17H18BrN5O2 MolecularWeight: 404.26112

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

Isomeric SMILES

C1COCCC1C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

InChI

InChI=1S/C17H18BrN5O2/c18-14-10-20-23-16(19-9-12-2-1-5-22(24)11-12)8-15(21-17(14)23)13-3-6-25-7-4-13/h1-2,5,8,10-11,13,19H,3-4,6-7,9H2