ethyl 2-[2-oxidanylidene-6-(phenylmethylsulfanyl)-3H-purin-9-yl]ethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-6-(phenylmethylsulfanyl)-3H-purin-9-yl]ethanoate Openeye Name: ethyl 2-(6-benzylsulfanyl-2-oxo-3H-purin-9-yl)acetate CAS Name: 2-[2-oxo-6-(phenylmethylthio)-3H-purin-9-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-benzylsulfanyl-2-oxo-3H-purin-9-yl)acetate Traditional Name: 2-[6-(benzylthio)-2-keto-3H-purin-9-yl]acetic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3S/c1-2-23-12(21)8-20-10-17-13-14(20)18-16(22)19-15(13)24-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,22)