6-chloranyl-9-[(4-methylsulfonylphenyl)methyl]purine

Systemtic Name: 6-chloranyl-9-[(4-methylsulfonylphenyl)methyl]purine Openeye Name: 6-chloro-9-[(4-methylsulfonylphenyl)methyl]purine CAS Name: 6-chloro-9-[(4-methylsulfonylphenyl)methyl]purine IUPAC Name: 6-chloro-9-[(4-methylsulfonylphenyl)methyl]purine Traditional Name: 6-chloro-9-(4-mesylbenzyl)purine Formula: C13H11ClN4O2S MolecularWeight: 322.77004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C13H11ClN4O2S/c1-21(19,20)10-4-2-9(3-5-10)6-18-8-17-11-12(14)15-7-16-13(11)18/h2-5,7-8H,6H2,1H3