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

Systemtic Name: 2-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Openeye Name: 2-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid CAS Name: 2-[7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid IUPAC Name: 2-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Traditional Name: 2-[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:

CC(C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H17N3O3S/c1-13(21(26)27)17-11-22-19-18(12-23-24(19)20(17)25)14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,26,27)