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

Systemtic Name: N-(2-adamantyl)-2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-adamantyl)-2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-adamantyl)-2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-adamantyl)-2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-adamantyl)-2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C26H29N3O2S2 MolecularWeight: 479.65736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3C4CC5CC(C4)CC3C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3C4CC5CC(C4)CC3C5)C6=CC=CC=C6)C

InChI

InChI=1S/C26H29N3O2S2/c1-14-15(2)33-24-22(14)25(31)29(20-6-4-3-5-7-20)26(28-24)32-13-21(30)27-23-18-9-16-8-17(11-18)12-19(23)10-16/h3-7,16-19,23H,8-13H2,1-2H3,(H,27,30)