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

Systemtic Name: 2-[7-hexyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(7-hexyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(7-hexyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid IUPAC Name: 2-(7-hexyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(7-hexyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid Formula: C15H22N4O4S MolecularWeight: 354.42458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H22N4O4S/c1-4-5-6-7-8-19-11-12(16-14(19)24-9-10(20)21)17(2)15(23)18(3)13(11)22/h4-9H2,1-3H3,(H,20,21)