3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]propanoate

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]propanoate Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]propanoate CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]propanoate IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]propanoate Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]propionate Formula: C10H11N4O4S- MolecularWeight: 283.28374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCC(=O)[O-]

InChI

InChI=1S/C10H12N4O4S/c1-13-7-6(8(17)14(2)10(13)18)11-9(12-7)19-4-3-5(15)16/h3-4H2,1-2H3,(H,11,12)(H,15,16)/p-1