9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclohexylsulfanyl-purin-6-amine

Systemtic Name: 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclohexylsulfanyl-purin-6-amine Openeye Name: 2-cyclohexylsulfanyl-9-[(2,6-difluorophenyl)methyl]purin-6-amine CAS Name: 2-(cyclohexylthio)-9-[(2,6-difluorophenyl)methyl]-6-purinamine IUPAC Name: 2-cyclohexylsulfanyl-9-[(2,6-difluorophenyl)methyl]purin-6-amine Traditional Name: [2-(cyclohexylthio)-9-(2,6-difluorobenzyl)purin-6-yl]amine Formula: C18H19F2N5S MolecularWeight: 375.438766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC3=C(C(=N2)N)N=CN3CC4=C(C=CC=C4F)F

Isomeric SMILES

C1CCC(CC1)SC2=NC3=C(C(=N2)N)N=CN3CC4=C(C=CC=C4F)F

InChI

InChI=1S/C18H19F2N5S/c19-13-7-4-8-14(20)12(13)9-25-10-22-15-16(21)23-18(24-17(15)25)26-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,21,23,24)