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

Systemtic Name: 2-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[(1,3-dimethyl-7-octyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-octyl-purin-8-yl)thio]acetamide Formula: C17H27N5O3S MolecularWeight: 381.49298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H27N5O3S/c1-4-5-6-7-8-9-10-22-13-14(19-16(22)26-11-12(18)23)20(2)17(25)21(3)15(13)24/h4-11H2,1-3H3,(H2,18,23)