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

Systemtic Name: 7-cyano-4-oxidanylidene-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-4-oxo-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-4-oxo-6-[2-(1-piperidin-1-iumyl)ethylthio]-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-4-oxo-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-(2-piperidin-1-ium-1-ylethylthio)-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C14H16N4O2S2 MolecularWeight: 336.43244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

InChI

InChI=1S/C14H16N4O2S2/c15-8-9-10-11(12(19)17-14(20)16-10)22-13(9)21-7-6-18-4-2-1-3-5-18/h1-7H2,(H2,16,17,19,20)