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

Systemtic Name: 3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]propanoic acid IUPAC Name: 3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid Traditional Name: 3-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]propionic acid Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCC(=O)O

InChI

InChI=1S/C11H14N4O4S/c1-13-8-7(9(18)15(3)11(19)14(8)2)12-10(13)20-5-4-6(16)17/h4-5H2,1-3H3,(H,16,17)