ethyl 2-[6-(4-chlorophenyl)sulfanylpurin-9-yl]ethanoate

Systemtic Name: ethyl 2-[6-(4-chlorophenyl)sulfanylpurin-9-yl]ethanoate Openeye Name: ethyl 2-[6-(4-chlorophenyl)sulfanylpurin-9-yl]acetate CAS Name: 2-[6-[(4-chlorophenyl)thio]-9-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-chlorophenyl)sulfanylpurin-9-yl]acetate Traditional Name: 2-[6-[(4-chlorophenyl)thio]purin-9-yl]acetic acid ethyl ester Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1N=CN=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1N=CN=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H13ClN4O2S/c1-2-22-12(21)7-20-9-19-13-14(20)17-8-18-15(13)23-11-5-3-10(16)4-6-11/h3-6,8-9H,2,7H2,1H3