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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC=CC=C3)SC(=C2C)C

InChI

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