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

Systemtic Name: 3-[4-[(3-methylphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[4-(m-tolylmethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-[4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-[4-[(3-methylphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-keto-3-[4-(3-methylbenzyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3/c1-13-3-2-4-15(9-13)10-14-5-7-16(8-6-14)17-12-23-24-19(17)22-11-18(20(24)25)21(26)27/h2-9,11-12,23H,10H2,1H3,(H,26,27)