3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-methyl-2-(2-morpholin-4-ium-4-ylethylthio)thieno[3,2-d]pyrimidin-4-one Formula: C13H18N3O2S2+ MolecularWeight: 312.43092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CS2)N=C1SCC[NH+]3CCOCC3

Isomeric SMILES

CN1C(=O)C2=C(C=CS2)N=C1SCC[NH+]3CCOCC3

InChI

InChI=1S/C13H17N3O2S2/c1-15-12(17)11-10(2-8-19-11)14-13(15)20-9-5-16-3-6-18-7-4-16/h2,8H,3-7,9H2,1H3/p+1