6-[4-[(dimethylazaniumyl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 6-[4-[(dimethylazaniumyl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 6-[4-[(dimethylammonio)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 6-[4-[(dimethylammonio)methyl]phenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 6-[4-[(dimethylazaniumyl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 6-[4-[(dimethylammonio)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C2=CN3C(=CC(=N3)C(=O)[O-])N=C2

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C2=CN3C(=CC(=N3)C(=O)[O-])N=C2

InChI

InChI=1S/C16H16N4O2/c1-19(2)9-11-3-5-12(6-4-11)13-8-17-15-7-14(16(21)22)18-20(15)10-13/h3-8,10H,9H2,1-2H3,(H,21,22)