N-(1-adamantyl)-2-[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[2-(4-morpholinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[2-(morpholinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C27H36N4O2S2 MolecularWeight: 512.73034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5)CN7CCOCC7

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5)CN7CCOCC7

InChI

InChI=1S/C27H36N4O2S2/c32-23(30-27-12-17-9-18(13-27)11-19(10-17)14-27)16-34-25-24-20-3-1-2-4-21(20)35-26(24)29-22(28-25)15-31-5-7-33-8-6-31/h17-19H,1-16H2,(H,30,32)