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

Systemtic Name: 2-[7-dodecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(7-dodecyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid IUPAC Name: 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(2,6-diketo-7-lauryl-3-methyl-purin-8-yl)thio]acetic acid Formula: C20H32N4O4S MolecularWeight: 424.55748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H32N4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-24-16-17(21-20(24)29-14-15(25)26)23(2)19(28)22-18(16)27/h3-14H2,1-2H3,(H,25,26)(H,22,27,28)