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

Systemtic Name: 2-[1,3-dimethyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(1,3-dimethyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(1,3-dimethyl-7-nonyl-2,6-dioxo-8-purinyl)thio]acetic acid IUPAC Name: 2-(1,3-dimethyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-nonyl-purin-8-yl)thio]acetic acid Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H28N4O4S/c1-4-5-6-7-8-9-10-11-22-14-15(19-17(22)27-12-13(23)24)20(2)18(26)21(3)16(14)25/h4-12H2,1-3H3,(H,23,24)