N-(1-adamantyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H27N3OS2/c1-11-12(2)27-20-18(11)19(22-13(3)23-20)26-10-17(25)24-21-7-14-4-15(8-21)6-16(5-14)9-21/h14-16H,4-10H2,1-3H3,(H,24,25)