2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)ethanamide

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)ethanamide Openeye Name: 2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,2-dimethylpropyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide Traditional Name: N-(1,2-dimethylpropyl)-2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(C)C(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(C)C(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O2S2/c1-12(2)14(4)22-17(25)11-27-21-23-19-18(13(3)15(5)28-19)20(26)24(21)16-9-7-6-8-10-16/h6-10,12,14H,11H2,1-5H3,(H,22,25)