6-chloranyl-7-[(4-methylsulfonylphenyl)methyl]purine

Systemtic Name: 6-chloranyl-7-[(4-methylsulfonylphenyl)methyl]purine Openeye Name: 6-chloro-7-[(4-methylsulfonylphenyl)methyl]purine CAS Name: 6-chloro-7-[(4-methylsulfonylphenyl)methyl]purine IUPAC Name: 6-chloro-7-[(4-methylsulfonylphenyl)methyl]purine Traditional Name: 6-chloro-7-(4-mesylbenzyl)purine Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C2C(=NC=N3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C2C(=NC=N3)Cl

InChI

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