2-[2-(dimethylazaniumyl)ethylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate CAS Name: 2-[2-(dimethylammonio)ethylthio]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinolate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-olate Traditional Name: 2-[2-(dimethylammonio)ethylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-olate Formula: C12H17N3OS2 MolecularWeight: 283.41288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)[O-])SCC[NH+](C)C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)[O-])SCC[NH+](C)C)C

InChI

InChI=1S/C12H17N3OS2/c1-7-8(2)18-11-9(7)10(16)13-12(14-11)17-6-5-15(3)4/h5-6H2,1-4H3,(H,13,14,16)