1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C20H26N4O2S2 MolecularWeight: 418.57604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H26N4O2S2/c25-17(13-28-19-16-7-12-27-18(16)21-14-22-19)23-10-5-15(6-11-23)20(26)24-8-3-1-2-4-9-24/h7,12,14-15H,1-6,8-11,13H2