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

Systemtic Name: methyl 6-[(2,5-dimethylphenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: methyl 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-carboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-10-5-6-11(2)13(7-10)8-14-12(3)20-16-15(18(23)24-4)9-19-21(16)17(14)22/h5-7,9,19H,8H2,1-4H3