ethyl 2-[(9-ethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(9-ethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]acetate CAS Name: 2-[(9-ethyl-6-oxo-3H-purin-8-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]acetate Traditional Name: 2-[(9-ethyl-6-keto-3H-purin-8-yl)thio]acetic acid ethyl ester Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)OCC

Isomeric SMILES

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)OCC

InChI

InChI=1S/C11H14N4O3S/c1-3-15-9-8(10(17)13-6-12-9)14-11(15)19-5-7(16)18-4-2/h6H,3-5H2,1-2H3,(H,12,13,17)