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

Systemtic Name: 5-methyl-6-[(4-methylphenyl)methyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: 5-methyl-7-oxo-6-(p-tolylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate IUPAC Name: 5-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-keto-5-methyl-6-(4-methylbenzyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Formula: C16H14N3O3- MolecularWeight: 296.30066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C3C(=CNN3C2=O)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C3C(=CNN3C2=O)C(=O)[O-])C

InChI

InChI=1S/C16H15N3O3/c1-9-3-5-11(6-4-9)7-12-10(2)18-14-13(16(21)22)8-17-19(14)15(12)20/h3-6,8,17H,7H2,1-2H3,(H,21,22)/p-1