N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=C(C(=C(N3C4CCCC4)C)C)C#N

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=C(C(=C(N3C4CCCC4)C)C)C#N

InChI

InChI=1S/C22H25N5O2S2/c1-4-26-21(29)19-17(9-10-30-19)24-22(26)31-12-18(28)25-20-16(11-23)13(2)14(3)27(20)15-7-5-6-8-15/h9-10,15H,4-8,12H2,1-3H3,(H,25,28)