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

Systemtic Name: 3-azanyl-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate Openeye Name: 3-amino-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate CAS Name: 3-amino-6-[(1,3-dimethyl-2-imidazol-1-iumyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate IUPAC Name: 3-amino-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate Traditional Name: 3-amino-6-[(1,3-dimethylimidazol-1-ium-2-yl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate Formula: C14H20N6O5S MolecularWeight: 384.4108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O.CH4O4S/c1-8-9(6-11-17(2)4-5-18(11)3)13(20)19-12(16-8)10(14)7-15-19;1-5-6(2,3)4/h4-5,7H,6,14H2,1-3H3;1H3,(H,2,3,4)