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

Systemtic Name: 3-azanyl-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate Openeye Name: 3-amino-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate CAS Name: 3-amino-5-methyl-6-[(1-methyl-3-pyridin-1-iumyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate IUPAC Name: 3-amino-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate Traditional Name: 3-amino-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one; methyl sulfate Formula: C15H19N5O5S MolecularWeight: 381.40686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)N)CC3=C[N+](=CC=C3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)N)CC3=C[N+](=CC=C3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H15N5O.CH4O4S/c1-9-11(6-10-4-3-5-18(2)8-10)14(20)19-13(17-9)12(15)7-16-19;1-5-6(2,3)4/h3-5,7-8H,6,15H2,1-2H3;1H3,(H,2,3,4)