N,N-dimethyl-9-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N,N-dimethyl-9-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N,N-dimethyl-9-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine CAS Name: N,N-dimethyl-9-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N,N-dimethyl-9-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(4-mesylbenzyl)-2-(trifluoromethyl)purin-6-yl]-dimethyl-amine Formula: C16H16F3N5O2S MolecularWeight: 399.39075

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C16H16F3N5O2S/c1-23(2)13-12-14(22-15(21-13)16(17,18)19)24(9-20-12)8-10-4-6-11(7-5-10)27(3,25)26/h4-7,9H,8H2,1-3H3