2-ethyl-3-(4-methylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Systemtic Name: 2-ethyl-3-(4-methylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid Openeye Name: 2-ethyl-5-oxo-3-(p-tolyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid CAS Name: 2-ethyl-3-(4-methylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid IUPAC Name: 2-ethyl-3-(4-methylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid Traditional Name: 2-ethyl-5-keto-3-(p-tolyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC(=O)CC(N2N1)C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C2=NC(=O)CC(N2N1)C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H17N3O3/c1-3-11-14(10-6-4-9(2)5-7-10)15-17-13(20)8-12(16(21)22)19(15)18-11/h4-7,12,18H,3,8H2,1-2H3,(H,21,22)