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

Systemtic Name: 2-[9-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(9-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(9-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid IUPAC Name: 2-(9-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(9-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid Formula: C11H14N4O4S MolecularWeight: 298.31826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)O

InChI

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