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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(N1C)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(N1C)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C10H12N4O4S/c1-4(8(16)17)19-10-12-6-5(13(10)2)7(15)14(3)9(18)11-6/h4H,1-3H3,(H,11,18)(H,16,17)