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

Systemtic Name: N-(1-adamantyl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H27N3OS2/c1-15-26-23(20-10-21(31-24(20)27-15)19-5-3-2-4-6-19)30-14-22(29)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-6,10,16-18H,7-9,11-14H2,1H3,(H,28,29)