2-[7-decyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O4S/c1-3-4-5-6-7-8-9-10-11-22-14-15(19-18(22)27-12-13(23)24)21(2)17(26)20-16(14)25/h3-12H2,1-2H3,(H,23,24)(H,20,25,26)