7-cyano-4-oxidanylidene-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-4-oxidanylidene-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-4-oxo-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-4-oxo-6-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-4-oxo-6-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-(2-pyrrolidin-1-ium-1-ylethylthio)-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

Isomeric SMILES

C1CC[NH+](C1)CCSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

InChI

InChI=1S/C13H14N4O2S2/c14-7-8-9-10(11(18)16-13(19)15-9)21-12(8)20-6-5-17-3-1-2-4-17/h1-6H2,(H2,15,16,18,19)