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

Systemtic Name: 2-[7-butyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-butyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-butyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetate IUPAC Name: 2-(7-butyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-butyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate Formula: C12H15N4O4S- MolecularWeight: 311.3369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C12H16N4O4S/c1-3-4-5-16-8-9(13-12(16)21-6-7(17)18)15(2)11(20)14-10(8)19/h3-6H2,1-2H3,(H,17,18)(H,14,19,20)/p-1