4-[[6-[(4-chlorophenyl)amino]purin-9-yl]methyl]benzenesulfonamide

Systemtic Name: 4-[[6-[(4-chlorophenyl)amino]purin-9-yl]methyl]benzenesulfonamide Openeye Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide CAS Name: 4-[[6-(4-chloroanilino)-9-purinyl]methyl]benzenesulfonamide IUPAC Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide Traditional Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide Formula: C18H15ClN6O2S MolecularWeight: 414.8687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3NC4=CC=C(C=C4)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H15ClN6O2S/c19-13-3-5-14(6-4-13)24-17-16-18(22-10-21-17)25(11-23-16)9-12-1-7-15(8-2-12)28(20,26)27/h1-8,10-11H,9H2,(H2,20,26,27)(H,21,22,24)