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

Systemtic Name: 3-[4-[(3-methoxyphenyl)methyl]-3-methyl-phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[4-[(3-methoxyphenyl)methyl]-3-methyl-phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-[4-[(3-methoxyphenyl)methyl]-3-methylphenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-[4-[(3-methoxyphenyl)methyl]-3-methylphenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-keto-3-(4-m-anisyl-3-methyl-phenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CNN3C2=NC=C(C3=O)C(=O)O)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CNN3C2=NC=C(C3=O)C(=O)O)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C22H19N3O4/c1-13-8-16(7-6-15(13)9-14-4-3-5-17(10-14)29-2)18-12-24-25-20(18)23-11-19(21(25)26)22(27)28/h3-8,10-12,24H,9H2,1-2H3,(H,27,28)