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

Systemtic Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one iodide Openeye Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one iodide CAS Name: 2-[2-(1-methyl-1-piperidin-1-iumyl)ethylthio]-3-phenyl-4-thieno[2,3-d]pyrimidinone iodide IUPAC Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one iodide Traditional Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylthio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one iodide Formula: C20H24IN3OS2 MolecularWeight: 513.45853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N3OS2.HI/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;1H/q+1;/p-1