9-[[3,5-bis(fluoranyl)phenyl]methyl]-2-butylsulfanyl-purin-6-amine

Systemtic Name: 9-[[3,5-bis(fluoranyl)phenyl]methyl]-2-butylsulfanyl-purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(3,5-difluorophenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(3,5-difluorophenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(3,5-difluorophenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(3,5-difluorobenzyl)purin-6-yl]amine Formula: C16H17F2N5S MolecularWeight: 349.401486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC(=C3)F)F

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C16H17F2N5S/c1-2-3-4-24-16-21-14(19)13-15(22-16)23(9-20-13)8-10-5-11(17)7-12(18)6-10/h5-7,9H,2-4,8H2,1H3,(H2,19,21,22)