2-[[2-acetamido-6-oxidanylidene-8-(phenylmethoxymethylsulfanyl)-3H-purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[2-acetamido-6-oxidanylidene-8-(phenylmethoxymethylsulfanyl)-3H-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-acetamido-8-(benzyloxymethylsulfanyl)-6-oxo-3H-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6-oxo-8-(phenylmethoxymethylthio)-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[2-acetamido-6-oxo-8-(phenylmethoxymethylsulfanyl)-3H-purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-8-(benzoxymethylthio)-6-keto-3H-purin-9-yl]methoxy]ethyl ester Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)SCOCC3=CC=CC=C3)COCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)SCOCC3=CC=CC=C3)COCCOC(=O)C

InChI

InChI=1S/C20H23N5O6S/c1-13(26)21-19-23-17-16(18(28)24-19)22-20(25(17)11-29-8-9-31-14(2)27)32-12-30-10-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H2,21,23,24,26,28)