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

Systemtic Name: 9-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentylsulfanyl-purin-6-amine Openeye Name: 2-cyclopentylsulfanyl-9-[(2,6-difluorophenyl)methyl]purin-6-amine CAS Name: 2-(cyclopentylthio)-9-[(2,6-difluorophenyl)methyl]-6-purinamine IUPAC Name: 2-cyclopentylsulfanyl-9-[(2,6-difluorophenyl)methyl]purin-6-amine Traditional Name: [2-(cyclopentylthio)-9-(2,6-difluorobenzyl)purin-6-yl]amine Formula: C17H17F2N5S MolecularWeight: 361.412186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC3=C(C(=N2)N)N=CN3CC4=C(C=CC=C4F)F

Isomeric SMILES

C1CCC(C1)SC2=NC3=C(C(=N2)N)N=CN3CC4=C(C=CC=C4F)F

InChI

InChI=1S/C17H17F2N5S/c18-12-6-3-7-13(19)11(12)8-24-9-21-14-15(20)22-17(23-16(14)24)25-10-4-1-2-5-10/h3,6-7,9-10H,1-2,4-5,8H2,(H2,20,22,23)