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

Systemtic Name: 3-[3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid CAS Name: 3-[3-[3-methoxy-4-(phenylthio)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-[3-(3-methoxy-4-phenylsulfanylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[7-keto-3-[3-methoxy-4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CNN3C2=NC=C(C3=O)CCC(=O)O)SC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CNN3C2=NC=C(C3=O)CCC(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c1-29-18-11-14(7-9-19(18)30-16-5-3-2-4-6-16)17-13-24-25-21(17)23-12-15(22(25)28)8-10-20(26)27/h2-7,9,11-13,24H,8,10H2,1H3,(H,26,27)