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

Systemtic Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-(2-piperidin-1-ium-1-ylethylthio)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C19H24N3OS3+ MolecularWeight: 406.60836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC[NH+]3CCCCC3)SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC[NH+]3CCCCC3)SC=C2C4=CC=CS4

InChI

InChI=1S/C19H23N3OS3/c1-2-22-18(23)16-14(15-7-6-11-24-15)13-26-17(16)20-19(22)25-12-10-21-8-4-3-5-9-21/h6-7,11,13H,2-5,8-10,12H2,1H3/p+1