methyl 1-[3-bromanyl-7-[(1-oxidanidylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3-bromanyl-7-[(1-oxidanidylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate CAS Name: 1-[3-bromo-7-[(1-oxido-3-pyridin-1-iumyl)methylamino]-5-pyrazolo[1,5-a]pyrimidinyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H19BrN6O3 MolecularWeight: 447.28586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

Isomeric SMILES

COC(=O)C1CCCN1C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

InChI

InChI=1S/C18H19BrN6O3/c1-28-18(26)14-5-3-7-24(14)16-8-15(25-17(22-16)13(19)10-21-25)20-9-12-4-2-6-23(27)11-12/h2,4,6,8,10-11,14,20H,3,5,7,9H2,1H3