2-butylsulfanyl-9-[[4-chloranyl-2-(trifluoromethyl)quinolin-6-yl]methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[[4-chloranyl-2-(trifluoromethyl)quinolin-6-yl]methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[[4-chloro-2-(trifluoromethyl)-6-quinolyl]methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[[4-chloro-2-(trifluoromethyl)-6-quinolinyl]methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[[4-chloro-2-(trifluoromethyl)quinolin-6-yl]methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-[[4-chloro-2-(trifluoromethyl)-6-quinolyl]methyl]purin-6-yl]amine Formula: C20H18ClF3N6S MolecularWeight: 466.91033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC4=C(C=C3)N=C(C=C4Cl)C(F)(F)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC4=C(C=C3)N=C(C=C4Cl)C(F)(F)F

InChI

InChI=1S/C20H18ClF3N6S/c1-2-3-6-31-19-28-17(25)16-18(29-19)30(10-26-16)9-11-4-5-14-12(7-11)13(21)8-15(27-14)20(22,23)24/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,25,28,29)