3-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

Systemtic Name: 3-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid CAS Name: 3-[7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)CCC(=O)O

InChI

InChI=1S/C21H17N3O3S/c25-19(26)11-8-15-12-22-20-18(13-23-24(20)21(15)27)14-6-9-17(10-7-14)28-16-4-2-1-3-5-16/h1-7,9-10,12-13,23H,8,11H2,(H,25,26)