4-ethoxy-3-[6-oxidanylidene-8-(phenylmethyl)-9-propyl-3H-purin-2-yl]benzenesulfonyl chloride

Systemtic Name: 4-ethoxy-3-[6-oxidanylidene-8-(phenylmethyl)-9-propyl-3H-purin-2-yl]benzenesulfonyl chloride Openeye Name: 3-(8-benzyl-6-oxo-9-propyl-3H-purin-2-yl)-4-ethoxy-benzenesulfonyl chloride CAS Name: 4-ethoxy-3-[6-oxo-8-(phenylmethyl)-9-propyl-3H-purin-2-yl]benzenesulfonyl chloride IUPAC Name: 3-(8-benzyl-6-oxo-9-propyl-3H-purin-2-yl)-4-ethoxybenzenesulfonyl chloride Traditional Name: 3-(8-benzyl-6-keto-9-propyl-3H-purin-2-yl)-4-ethoxy-benzenesulfonyl chloride Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O4S/c1-3-12-28-19(13-15-8-6-5-7-9-15)25-20-22(28)26-21(27-23(20)29)17-14-16(33(24,30)31)10-11-18(17)32-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,27,29)