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

Systemtic Name: 3-(2,5-dimethyl-7-oxidanylidene-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid Openeye Name: 3-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid CAS Name: 3-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid IUPAC Name: 3-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid Traditional Name: 3-(7-keto-2,5-dimethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propionic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=O)N2N1)CCC(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=NC(=C(C(=O)N2N1)CCC(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3/c1-10-13(8-9-14(21)22)17(23)20-16(18-10)15(11(2)19-20)12-6-4-3-5-7-12/h3-7,19H,8-9H2,1-2H3,(H,21,22)