4-ethoxy-3-(6-oxidanylidene-9-propyl-3H-purin-2-yl)benzenesulfonyl chloride

Systemtic Name: 4-ethoxy-3-(6-oxidanylidene-9-propyl-3H-purin-2-yl)benzenesulfonyl chloride Openeye Name: 4-ethoxy-3-(6-oxo-9-propyl-3H-purin-2-yl)benzenesulfonyl chloride CAS Name: 4-ethoxy-3-(6-oxo-9-propyl-3H-purin-2-yl)benzenesulfonyl chloride IUPAC Name: 4-ethoxy-3-(6-oxo-9-propyl-3H-purin-2-yl)benzenesulfonyl chloride Traditional Name: 4-ethoxy-3-(6-keto-9-propyl-3H-purin-2-yl)benzenesulfonyl chloride Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC

Isomeric SMILES

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC

InChI

InChI=1S/C16H17ClN4O4S/c1-3-7-21-9-18-13-15(21)19-14(20-16(13)22)11-8-10(26(17,23)24)5-6-12(11)25-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20,22)