5-methyl-3-nitro-6-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one hydrochloride

Systemtic Name: 5-methyl-3-nitro-6-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one hydrochloride Openeye Name: 5-methyl-3-nitro-6-(3-pyridylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one hydrochloride CAS Name: 5-methyl-3-nitro-6-(3-pyridinylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one hydrochloride IUPAC Name: 5-methyl-3-nitro-6-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one hydrochloride Traditional Name: 5-methyl-3-nitro-6-(3-pyridylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one hydrochloride Formula: C13H12ClN5O3 MolecularWeight: 321.71908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3.ClH/c1-8-10(5-9-3-2-4-14-6-9)13(19)17-12(16-8)11(7-15-17)18(20)21;/h2-4,6-7,15H,5H2,1H3;1H