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ethyl 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate

ethyl 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate

Systemtic Name:ethyl 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate
Openeye Name:ethyl 2-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylbutanoate
CAS Name:2-[(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)thio]butanoic acid ethyl ester
IUPAC Name:ethyl 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylbutanoate
Traditional Name:2-[(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)thio]butyric acid ethyl ester
Formula: C18H28N4O4S
MolecularWeight: 396.50432
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C


InChI

InChI=1S/C18H28N4O4S/c1-5-8-9-10-11-22-13-14(21(4)17(25)20-15(13)23)19-18(22)27-12(6-2)16(24)26-7-3/h12H,5-11H2,1-4H3,(H,20,23,25)


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