N,N-dimethyl-9-[(4-methylphenyl)methyl]-8-(phenylmethylsulfanyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N,N-dimethyl-9-[(4-methylphenyl)methyl]-8-(phenylmethylsulfanyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: 8-benzylsulfanyl-N,N-dimethyl-9-(p-tolylmethyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N,N-dimethyl-9-[(4-methylphenyl)methyl]-8-(phenylmethylthio)-2-(trifluoromethyl)-6-purinamine IUPAC Name: 8-benzylsulfanyl-N,N-dimethyl-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: [8-(benzylthio)-9-(4-methylbenzyl)-2-(trifluoromethyl)purin-6-yl]-dimethyl-amine Formula: C23H22F3N5S MolecularWeight: 457.51449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N(C)C)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C23H22F3N5S/c1-15-9-11-16(12-10-15)13-31-20-18(19(30(2)3)28-21(29-20)23(24,25)26)27-22(31)32-14-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3