2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-7-pentyl-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-pentyl-8-purinyl)thio]acetic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(7-amyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H20N4O4S/c1-4-5-6-7-18-10-11(15-13(18)23-8-9(19)20)16(2)14(22)17(3)12(10)21/h4-8H2,1-3H3,(H,19,20)