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

Systemtic Name: 3-[9-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfonylpropanoic acid Openeye Name: 3-(9-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfonylpropanoic acid CAS Name: 3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)sulfonyl]propanoic acid IUPAC Name: 3-(9-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfonylpropanoic acid Traditional Name: 3-(9-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)sulfonylpropionic acid Formula: C12H16N4O6S MolecularWeight: 344.34364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C12H16N4O6S/c1-4-16-9-8(10(19)15(3)12(20)14(9)2)13-11(16)23(21,22)6-5-7(17)18/h4-6H2,1-3H3,(H,17,18)