2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]propanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]propanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-thioxo-9H-purin-7-yl)propanoic acid CAS Name: 2-(1,3-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)propanoic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)propanoic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-thioxo-9H-purin-7-yl)propionic acid Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C(=O)O)N1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

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