sodium 8-ethylsulfanyl-1,3-dimethyl-2-oxidanylidene-purine-6-thiolate

Systemtic Name: sodium 8-ethylsulfanyl-1,3-dimethyl-2-oxidanylidene-purine-6-thiolate Openeye Name: sodium 8-ethylsulfanyl-1,3-dimethyl-2-oxo-purine-6-thiolate CAS Name: sodium 8-(ethylthio)-1,3-dimethyl-2-oxo-6-purinethiolate IUPAC Name: sodium 8-ethylsulfanyl-1,3-dimethyl-2-oxopurine-6-thiolate Traditional Name: sodium 8-(ethylthio)-2-keto-1,3-dimethyl-purine-6-thiolate Formula: C9H11N4NaOS2 MolecularWeight: 278.32961

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N(C(=O)N(C2=N1)C)C)[S-].[Na+]

Isomeric SMILES

CCSC1=NC2=C(N(C(=O)N(C2=N1)C)C)[S-].[Na+]

InChI

InChI=1S/C9H12N4OS2.Na/c1-4-16-8-10-5-6(11-8)12(2)9(14)13(3)7(5)15;/h15H,4H2,1-3H3;/q;+1/p-1