7-cyclohexyl-6-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-cyclohexyl-6-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 7-cyclohexyl-6-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-cyclohexyl-6-[4-(methylthio)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-cyclohexyl-6-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 7-cyclohexyl-6-[4-(methylthio)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4

InChI

InChI=1S/C20H21N3O2S/c1-26-15-9-7-13(8-10-15)16-11-21-19-17(20(24)25)12-22-23(19)18(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,25)