methyl 2-(8-ethoxy-9-methyl-purin-6-yl)sulfanylethanoate

Systemtic Name: methyl 2-(8-ethoxy-9-methyl-purin-6-yl)sulfanylethanoate Openeye Name: methyl 2-(8-ethoxy-9-methyl-purin-6-yl)sulfanylacetate CAS Name: 2-[(8-ethoxy-9-methyl-6-purinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(8-ethoxy-9-methylpurin-6-yl)sulfanylacetate Traditional Name: 2-[(8-ethoxy-9-methyl-purin-6-yl)thio]acetic acid methyl ester Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1C)N=CN=C2SCC(=O)OC

Isomeric SMILES

CCOC1=NC2=C(N1C)N=CN=C2SCC(=O)OC

InChI

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