2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-[1,3-dimethyl-7-(2-methylallyl)-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[1,3-dimethyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(2-methylallyl)purin-8-yl]thio]acetate Formula: C13H15N4O4S- MolecularWeight: 323.3476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H16N4O4S/c1-7(2)5-17-9-10(14-12(17)22-6-8(18)19)15(3)13(21)16(4)11(9)20/h1,5-6H2,2-4H3,(H,18,19)/p-1