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

Systemtic Name: 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetate IUPAC Name: 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate Formula: C14H19N4O4S- MolecularWeight: 339.39006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O4S/c1-3-4-5-6-7-18-10-11(15-14(18)23-8-9(19)20)17(2)13(22)16-12(10)21/h3-8H2,1-2H3,(H,19,20)(H,16,21,22)/p-1