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

Systemtic Name: 6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2,4-bis(oxidanylidene)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile CAS Name: 6-[2-(4-morpholin-4-iumyl)ethylthio]-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 6-(2-morpholin-4-ium-4-ylethylsulfanyl)-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 2,4-diketo-6-(2-morpholin-4-ium-4-ylethylthio)-1H-thieno[3,2-d]pyrimidine-7-carbonitrile Formula: C13H15N4O3S2+ MolecularWeight: 339.4132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C(C3=C(S2)C(=O)NC(=O)N3)C#N

Isomeric SMILES

C1COCC[NH+]1CCSC2=C(C3=C(S2)C(=O)NC(=O)N3)C#N

InChI

InChI=1S/C13H14N4O3S2/c14-7-8-9-10(11(18)16-13(19)15-9)22-12(8)21-6-3-17-1-4-20-5-2-17/h1-6H2,(H2,15,16,18,19)/p+1