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

Systemtic Name: 3-azanyl-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-amino-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-amino-5-methyl-6-[(1-methyl-3-pyridin-1-iumyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-amino-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-amino-5-methyl-6-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C14H16N5O+ MolecularWeight: 270.30974

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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

Isomeric SMILES

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

InChI

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