N-[(4-chlorophenyl)methyl]-2-methylsulfonyl-5H-purin-6-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-methylsulfonyl-5H-purin-6-amine Openeye Name: N-[(4-chlorophenyl)methyl]-2-methylsulfonyl-5H-purin-6-amine CAS Name: N-[(4-chlorophenyl)methyl]-2-methylsulfonyl-5H-purin-6-amine IUPAC Name: N-[(4-chlorophenyl)methyl]-2-methylsulfonyl-5H-purin-6-amine Traditional Name: (4-chlorobenzyl)-(2-mesyl-5H-purin-6-yl)amine Formula: C13H12ClN5O2S MolecularWeight: 337.78468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=NC=NC2C(=N1)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC2=NC=NC2C(=N1)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN5O2S/c1-22(20,21)13-18-11(10-12(19-13)17-7-16-10)15-6-8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,15,16,17,18,19)