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

Systemtic Name: 6-[(3-chlorophenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-[(3-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-[(3-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 6-[(3-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(3-chlorobenzyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C15H12ClN3O3 MolecularWeight: 317.72708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)O)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)O)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H12ClN3O3/c1-8-11(6-9-3-2-4-10(16)5-9)14(20)19-13(18-8)12(7-17-19)15(21)22/h2-5,7,17H,6H2,1H3,(H,21,22)