3-azanyl-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 3-azanyl-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-amino-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-amino-6-[(1,3-dimethyl-2-imidazol-1-iumyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-amino-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-amino-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C13H17N6O+ MolecularWeight: 273.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)N)CC3=[N+](C=CN3C)C

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)N)CC3=[N+](C=CN3C)C

InChI

InChI=1S/C13H16N6O/c1-8-9(6-11-17(2)4-5-18(11)3)13(20)19-12(16-8)10(14)7-15-19/h4-5,7H,6,14H2,1-3H3/p+1