3-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid

Systemtic Name: 3-[7-(2-methoxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]sulfanylpropanoic acid CAS Name: 3-[[7-(2-methoxyethyl)-3-methyl-2,6-dioxo-8-purinyl]thio]propanoic acid IUPAC Name: 3-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid Traditional Name: 3-[[2,6-diketo-7-(2-methoxyethyl)-3-methyl-purin-8-yl]thio]propionic acid Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC(=O)O)CCOC

InChI

InChI=1S/C12H16N4O5S/c1-15-9-8(10(19)14-11(15)20)16(4-5-21-2)12(13-9)22-6-3-7(17)18/h3-6H2,1-2H3,(H,17,18)(H,14,19,20)