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

Systemtic Name: 3-[3-methyl-4-[(3-methylphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[3-methyl-4-(m-tolylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-[3-methyl-4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-[3-methyl-4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-keto-3-[3-methyl-4-(3-methylbenzyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(C=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(C=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O)C

InChI

InChI=1S/C22H19N3O3/c1-13-4-3-5-15(8-13)10-16-6-7-17(9-14(16)2)18-12-24-25-20(18)23-11-19(21(25)26)22(27)28/h3-9,11-12,24H,10H2,1-2H3,(H,27,28)