sodium 7-oxidanylidene-2-(phenylmethylsulfanyl)-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-olate

Systemtic Name: sodium 7-oxidanylidene-2-(phenylmethylsulfanyl)-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-olate Openeye Name: sodium 2-benzylsulfanyl-7-oxo-4H-thiazolo[4,5-d]pyrimidin-5-olate CAS Name: sodium 7-oxo-2-(phenylmethylthio)-4H-thiazolo[4,5-d]pyrimidin-5-olate IUPAC Name: sodium 2-benzylsulfanyl-7-oxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-olate Traditional Name: sodium 2-(benzylthio)-7-keto-4H-thiazolo[4,5-d]pyrimidin-5-olate Formula: C12H8N3NaO2S2 MolecularWeight: 313.33059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C(=O)N=C(N3)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C(=O)N=C(N3)[O-].[Na+]

InChI

InChI=1S/C12H9N3O2S2.Na/c16-10-8-9(13-11(17)15-10)14-12(19-8)18-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H2,13,15,16,17);/q;+1/p-1