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

Systemtic Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-(1-methyl-1-piperidin-1-iumyl)ethylthio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylthio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N3OS2+ MolecularWeight: 386.55406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCCC1)CCSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C20H24N3OS2/c1-23(11-6-3-7-12-23)13-15-26-20-21-18-17(10-14-25-18)19(24)22(20)16-8-4-2-5-9-16/h2,4-5,8-10,14H,3,6-7,11-13,15H2,1H3/q+1