2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-7H-purin-6-olate

Systemtic Name: 2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-7H-purin-6-olate Openeye Name: 2-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-7H-purin-6-olate CAS Name: 2-[(2-oxo-2-thiophen-2-ylethyl)thio]-7H-purin-6-olate IUPAC Name: 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-7H-purin-6-olate Traditional Name: 2-[[2-keto-2-(2-thienyl)ethyl]thio]-7H-purin-6-olate Formula: C11H7N4O2S2- MolecularWeight: 291.32888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CSC2=NC3=C(C(=N2)[O-])NC=N3

Isomeric SMILES

C1=CSC(=C1)C(=O)CSC2=NC3=C(C(=N2)[O-])NC=N3

InChI

InChI=1S/C11H8N4O2S2/c16-6(7-2-1-3-18-7)4-19-11-14-9-8(10(17)15-11)12-5-13-9/h1-3,5H,4H2,(H2,12,13,14,15,17)/p-1