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

Systemtic Name: 2-[7-hexadecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-(7-hexadecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetic acid CAS Name: 2-[(7-hexadecyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid IUPAC Name: 2-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetic acid Traditional Name: 2-[(7-cetyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid Formula: C24H40N4O4S MolecularWeight: 480.6638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(=O)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H40N4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-20-21(25-24(28)33-18-19(29)30)27(2)23(32)26-22(20)31/h3-18H2,1-2H3,(H,29,30)(H,26,31,32)