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

Systemtic Name: N-butyl-2-[5,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-butyl-acetamide CAS Name: N-butyl-2-[[5,6-dimethyl-4-oxo-3-(phenylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-butylacetamide Traditional Name: 2-[(3-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-butyl-acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC3=CC=CC=C3

InChI

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