N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C20H16N6OS2 MolecularWeight: 420.51064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C20H16N6OS2/c1-12-13(2)29-20(15(12)8-21)25-17(27)10-28-19-16-9-24-26(18(16)22-11-23-19)14-6-4-3-5-7-14/h3-7,9,11H,10H2,1-2H3,(H,25,27)