ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]ethanoate

Systemtic Name: ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]ethanoate Openeye Name: ethyl 2-[6-(m-tolylsulfanyl)purin-9-yl]acetate CAS Name: 2-[6-[(3-methylphenyl)thio]-9-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate Traditional Name: 2-[6-(m-tolylthio)purin-9-yl]acetic acid ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-3-22-13(21)8-20-10-19-14-15(20)17-9-18-16(14)23-12-6-4-5-11(2)7-12/h4-7,9-10H,3,8H2,1-2H3