2-(9-ethyl-6-oxidanylidene-purin-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(9-ethyl-6-oxidanylidene-purin-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(9-ethyl-6-oxo-purin-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(9-ethyl-6-oxo-1-purinyl)ethyl ester IUPAC Name: 2-(9-ethyl-6-oxopurin-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(9-ethyl-6-keto-purin-1-yl)ethyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=CN(C2=O)CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C=NC2=C1N=CN(C2=O)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H18N4O4S/c1-3-19-10-17-14-15(19)18-11-20(16(14)21)8-9-24-25(22,23)13-6-4-12(2)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3