N-(4-butylphenyl)-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2C

InChI

InChI=1S/C21H25N3O2S2/c1-5-6-7-15-8-10-16(11-9-15)22-17(25)12-27-21-23-19-18(20(26)24(21)4)13(2)14(3)28-19/h8-11H,5-7,12H2,1-4H3,(H,22,25)