2-[(6S)-2-methyl-3-(4-methylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate

Systemtic Name: 2-[(6S)-2-methyl-3-(4-methylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: 2-[(6S)-2-methyl-5-oxo-3-(p-tolyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[(6S)-2-methyl-3-(4-methylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate IUPAC Name: 2-[(6S)-2-methyl-3-(4-methylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[(6S)-5-keto-2-methyl-3-(p-tolyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate Formula: C16H16N3O3- MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN3C2=NC(=O)C(C3)CC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN3C2=NC(=O)[C@H](C3)CC(=O)[O-])C

InChI

InChI=1S/C16H17N3O3/c1-9-3-5-11(6-4-9)14-10(2)18-19-8-12(7-13(20)21)16(22)17-15(14)19/h3-6,12,18H,7-8H2,1-2H3,(H,20,21)/p-1/t12-/m0/s1