N-cyclooctyl-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-cyclooctyl-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C21H25N3O2S3 MolecularWeight: 447.6371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC3CCCCCCC3)SC=C2C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC3CCCCCCC3)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H25N3O2S3/c1-24-20(26)18-15(16-10-7-11-27-16)12-28-19(18)23-21(24)29-13-17(25)22-14-8-5-3-2-4-6-9-14/h7,10-12,14H,2-6,8-9,13H2,1H3,(H,22,25)