3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

Systemtic Name: 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid CAS Name: 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxo-6-pyrazolo[1,5-a]pyrimidinyl]propanoic acid IUPAC Name: 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[7-keto-4,5-dimethyl-2-(o-tolyl)pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN3C(=C2)N(C(=C(C3=O)CCC(=O)O)C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN3C(=C2)N(C(=C(C3=O)CCC(=O)O)C)C

InChI

InChI=1S/C18H19N3O3/c1-11-6-4-5-7-13(11)15-10-16-20(3)12(2)14(8-9-17(22)23)18(24)21(16)19-15/h4-7,10H,8-9H2,1-3H3,(H,22,23)