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

Systemtic Name: ethyl 2-[3-methyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-7-nonyl-2,6-dioxo-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-3-methyl-7-nonyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H30N4O4S/c1-4-6-7-8-9-10-11-12-23-15-16(22(3)18(26)21-17(15)25)20-19(23)28-13-14(24)27-5-2/h4-13H2,1-3H3,(H,21,25,26)