3-ethyl-5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C17H26N3OS2+ MolecularWeight: 352.53784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC[NH+]3CCCCC3)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC[NH+]3CCCCC3)SC(=C2C)C

InChI

InChI=1S/C17H25N3OS2/c1-4-20-16(21)14-12(2)13(3)23-15(14)18-17(20)22-11-10-19-8-6-5-7-9-19/h4-11H2,1-3H3/p+1