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

Systemtic Name: 2-[[2-acetamido-6-oxidanylidene-8-(phenylmethylsulfanyl)-3H-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[(2-acetamido-8-benzylsulfanyl-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-acetamido-6-oxo-8-(phenylmethylthio)-3H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[(2-acetamido-8-benzylsulfanyl-6-oxo-3H-purin-9-yl)methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-acetamido-8-(benzylthio)-6-keto-3H-purin-9-yl]methoxy]ethyl ester Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)SCC3=CC=CC=C3)COCCOC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)SCC3=CC=CC=C3)COCCOC(=O)C

InChI

InChI=1S/C19H21N5O5S/c1-12(25)20-18-22-16-15(17(27)23-18)21-19(30-10-14-6-4-3-5-7-14)24(16)11-28-8-9-29-13(2)26/h3-7H,8-11H2,1-2H3,(H2,20,22,23,25,27)