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

Systemtic Name: 4-[[6-[(4-chlorophenyl)amino]purin-9-yl]methyl]benzenesulfonamide hydrochloride Openeye Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide hydrochloride CAS Name: 4-[[6-(4-chloroanilino)-9-purinyl]methyl]benzenesulfonamide hydrochloride IUPAC Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide hydrochloride Traditional Name: 4-[[6-(4-chloroanilino)purin-9-yl]methyl]benzenesulfonamide hydrochloride Formula: C18H16Cl2N6O2S MolecularWeight: 451.32964

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN6O2S.ClH/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);1H