N-(1-cyano-1-cyclopropyl-ethyl)-2-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[6-ethyl-4-keto-3-(3-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)NC(C)(C#N)C4CC4)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC(=CC=C3)OC)SCC(=O)NC(C)(C#N)C4CC4)C

InChI

InChI=1S/C24H26N4O3S2/c1-5-18-14(2)20-21(33-18)26-23(28(22(20)30)16-7-6-8-17(11-16)31-4)32-12-19(29)27-24(3,13-25)15-9-10-15/h6-8,11,15H,5,9-10,12H2,1-4H3,(H,27,29)