methyl 2-(6-phenylsulfanylpurin-9-yl)ethanoate

Systemtic Name: methyl 2-(6-phenylsulfanylpurin-9-yl)ethanoate Openeye Name: methyl 2-(6-phenylsulfanylpurin-9-yl)acetate CAS Name: 2-[6-(phenylthio)-9-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(6-phenylsulfanylpurin-9-yl)acetate Traditional Name: 2-[6-(phenylthio)purin-9-yl]acetic acid methyl ester Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=NC2=C1N=CN=C2SC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C=NC2=C1N=CN=C2SC3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-20-11(19)7-18-9-17-12-13(18)15-8-16-14(12)21-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3