(2R)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate

Systemtic Name: (2R)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: (2R)-2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: (2R)-2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]propanoate IUPAC Name: (2R)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: (2R)-2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]propionate Formula: C11H13N4O4S- MolecularWeight: 297.31032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H14N4O4S/c1-5(9(17)18)20-10-12-6-7(13(10)2)14(3)11(19)15(4)8(6)16/h5H,1-4H3,(H,17,18)/p-1/t5-/m1/s1