3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCCC(=O)[O-])N(C(=O)NC2=O)C

InChI

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