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

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

Systemtic Name:2-[7-hexadecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate
Openeye Name:2-(7-hexadecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate
CAS Name:2-[(7-hexadecyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetate
IUPAC Name:2-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate
Traditional Name:2-[(7-cetyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetate
Formula: C24H39N4O4S-
MolecularWeight: 479.65586
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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)/p-1


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