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

Systemtic Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate IUPAC Name: 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(2,5-dimethylbenzyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C17H16N3O3- MolecularWeight: 310.32724

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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)/p-1