2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-8-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-8-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(1,3,7-trimethyl-2,6-dioxo-9H-purin-7-ium-8-yl)sulfanyl]acetic acid CAS Name: 2-[(1,3,7-trimethyl-2,6-dioxo-9H-purin-7-ium-8-yl)thio]acetic acid IUPAC Name: 2-[(1,3,7-trimethyl-2,6-dioxo-9H-purin-7-ium-8-yl)sulfanyl]acetic acid Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-9H-purin-7-ium-8-yl)thio]acetic acid Formula: C10H13N4O4S+ MolecularWeight: 285.29962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SCC(=O)O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)SCC(=O)O)C

InChI

InChI=1S/C10H12N4O4S/c1-12-6-7(11-9(12)19-4-5(15)16)13(2)10(18)14(3)8(6)17/h4H2,1-3H3,(H,15,16)/p+1