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

Systemtic Name: 3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-(3-methoxy-4-phenylsulfanyl-phenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-[3-methoxy-4-(phenylthio)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-(3-methoxy-4-phenylsulfanylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-keto-3-[3-methoxy-4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O4S/c1-27-16-9-12(7-8-17(16)28-13-5-3-2-4-6-13)14-11-22-23-18(14)21-10-15(19(23)24)20(25)26/h2-11,22H,1H3,(H,25,26)