6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(2,5-dimethylbenzyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(N=C3C(=CNN3C2=O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C3C(=CNN3C2=O)C(=O)O)C

InChI

InChI=1S/C17H17N3O3/c1-9-4-5-10(2)12(6-9)7-13-11(3)19-15-14(17(22)23)8-18-20(15)16(13)21/h4-6,8,18H,7H2,1-3H3,(H,22,23)