2-[2-(1-adamantyl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[2-(1-adamantyl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[2-(1-adamantyl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[2-(1-adamantyl)-5-ethyl-6-methyl-4-thieno[2,3-d]pyrimidinyl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[2-(1-adamantyl)-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[2-(1-adamantyl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl]thio]-N-p-phenetyl-acetamide Formula: C29H35N3O2S2 MolecularWeight: 521.7371

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=NC(=N2)C34CC5CC(C3)CC(C5)C4)SCC(=O)NC6=CC=C(C=C6)OCC)C

Isomeric SMILES

CCC1=C(SC2=C1C(=NC(=N2)C34CC5CC(C3)CC(C5)C4)SCC(=O)NC6=CC=C(C=C6)OCC)C

InChI

InChI=1S/C29H35N3O2S2/c1-4-23-17(3)36-27-25(23)26(35-16-24(33)30-21-6-8-22(9-7-21)34-5-2)31-28(32-27)29-13-18-10-19(14-29)12-20(11-18)15-29/h6-9,18-20H,4-5,10-16H2,1-3H3,(H,30,33)