2-[(6-azanyl-2-methylsulfanyl-purin-9-yl)methoxy]ethyl benzoate

Systemtic Name: 2-[(6-azanyl-2-methylsulfanyl-purin-9-yl)methoxy]ethyl benzoate Openeye Name: 2-[(6-amino-2-methylsulfanyl-purin-9-yl)methoxy]ethyl benzoate CAS Name: benzoic acid 2-[[6-amino-2-(methylthio)-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[(6-amino-2-methylsulfanylpurin-9-yl)methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[[6-amino-2-(methylthio)purin-9-yl]methoxy]ethyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)N=CN2COCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)N=CN2COCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3S/c1-25-16-19-13(17)12-14(20-16)21(9-18-12)10-23-7-8-24-15(22)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H2,17,19,20)