N-(3-methylsulfanylphenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-28-16-9-5-6-14(10-16)23-18(26)12-24-13-21-19-17(20(24)27)11-22-25(19)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H,23,26)