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

Systemtic Name: 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-[3-methyl-7-(2-methylallyl)-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(2-methylallyl)purin-8-yl]thio]acetate Formula: C12H13N4O4S- MolecularWeight: 309.32102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C12H14N4O4S/c1-6(2)4-16-8-9(13-12(16)21-5-7(17)18)15(3)11(20)14-10(8)19/h1,4-5H2,2-3H3,(H,17,18)(H,14,19,20)/p-1