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

Systemtic Name: 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetamide CAS Name: 2-[(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetamide Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O3S/c1-3-4-5-6-7-19-10-11(16-14(19)23-8-9(15)20)18(2)13(22)17-12(10)21/h3-8H2,1-2H3,(H2,15,20)(H,17,21,22)