3-(4-methylphenyl)-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-methylphenyl)-2-[2-(1-methyl-1-piperidin-1-iumyl)ethylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(4-methylphenyl)-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylthio]-3-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H26N3OS2+ MolecularWeight: 400.58064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC[N+]4(CCCCC4)C)SC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC[N+]4(CCCCC4)C)SC=C3

InChI

InChI=1S/C21H26N3OS2/c1-16-6-8-17(9-7-16)23-20(25)18-10-14-26-19(18)22-21(23)27-15-13-24(2)11-4-3-5-12-24/h6-10,14H,3-5,11-13,15H2,1-2H3/q+1