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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanamide Openeye Name: 2-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylacetamide CAS Name: 2-[(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)thio]acetamide IUPAC Name: 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetamide Traditional Name: 2-[(7-amyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetamide Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H19N5O3S/c1-3-4-5-6-18-9-10(15-13(18)22-7-8(14)19)17(2)12(21)16-11(9)20/h3-7H2,1-2H3,(H2,14,19)(H,16,20,21)