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

Systemtic Name: 2-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-7-octyl-2,6-dioxo-8-purinyl)thio]acetate IUPAC Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-octyl-purin-8-yl)thio]acetate Formula: C17H25N4O4S- MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H26N4O4S/c1-4-5-6-7-8-9-10-21-13-14(18-16(21)26-11-12(22)23)19(2)17(25)20(3)15(13)24/h4-11H2,1-3H3,(H,22,23)/p-1