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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O4S/c1-4-6-7-8-9-10-11-22-14-15(21(3)17(25)20-16(14)24)19-18(22)27-12-13(23)26-5-2/h4-12H2,1-3H3,(H,20,24,25)