N-(2-cyano-3-methyl-butan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC=NC2=C1C=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4OS2/c1-13(2)20(3,11-21)24-17(25)10-26-18-15-9-16(14-7-5-4-6-8-14)27-19(15)23-12-22-18/h4-9,12-13H,10H2,1-3H3,(H,24,25)