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

Systemtic Name: 3-[9-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-(9-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoic acid CAS Name: 3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]propanoic acid IUPAC Name: 3-(9-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoic acid Traditional Name: 3-[(9-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]propionic acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCC(=O)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCCC(=O)O

InChI

InChI=1S/C12H16N4O4S/c1-4-16-9-8(10(19)15(3)12(20)14(9)2)13-11(16)21-6-5-7(17)18/h4-6H2,1-3H3,(H,17,18)