2,4-bis(oxidanylidene)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 2,4-bis(oxidanylidene)-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 2,4-dioxo-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile CAS Name: 2,4-dioxo-6-[2-(1-piperidin-1-iumyl)ethylthio]-1H-thieno[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 2,4-dioxo-6-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 2,4-diketo-6-(2-piperidin-1-ium-1-ylethylthio)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile Formula: C14H17N4O2S2+ MolecularWeight: 337.44038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C3=C(S2)C(=O)NC(=O)N3)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)/p+1