ethyl 2-[1-(4-chlorophenyl)-9-methyl-6-oxidanylidene-purin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(4-chlorophenyl)-9-methyl-6-oxidanylidene-purin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(4-chlorophenyl)-9-methyl-6-oxo-purin-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-chlorophenyl)-9-methyl-6-oxo-2-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-chlorophenyl)-9-methyl-6-oxopurin-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-chlorophenyl)-6-keto-9-methyl-purin-2-yl]thio]acetic acid ethyl ester Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)N=CN2C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Cl)N=CN2C

InChI

InChI=1S/C16H15ClN4O3S/c1-3-24-12(22)8-25-16-19-14-13(18-9-20(14)2)15(23)21(16)11-6-4-10(17)5-7-11/h4-7,9H,3,8H2,1-2H3