N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C20H16N6O2S2 MolecularWeight: 436.51004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C20H16N6O2S2/c1-11-12(2)30-19(14(11)8-21)23-16(27)10-29-20-24-17-15(18(28)25-20)9-22-26(17)13-6-4-3-5-7-13/h3-7,9,22H,10H2,1-2H3,(H,23,27)