N-butyl-2-[5-(3,4-dimethylphenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[5-(3,4-dimethylphenyl)-3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[5-(3,4-dimethylphenyl)-3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[5-(3,4-dimethylphenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-butyl-2-[5-(3,4-dimethylphenyl)-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[5-(3,4-dimethylphenyl)-4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)N1C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)N1C

InChI

InChI=1S/C21H25N3O2S2/c1-5-6-9-22-17(25)12-28-21-23-19-18(20(26)24(21)4)16(11-27-19)15-8-7-13(2)14(3)10-15/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,22,25)