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

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]propanoic acid Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]propanoic acid CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]propanoic acid IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]propanoic acid Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]propionic acid Formula: C10H12N4O4S MolecularWeight: 284.29168

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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)