9-[[3,4-bis(fluoranyl)phenyl]methyl]-8-bromanyl-N2-butyl-purine-2,6-diamine

Systemtic Name: 9-[[3,4-bis(fluoranyl)phenyl]methyl]-8-bromanyl-N2-butyl-purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(3,4-difluorophenyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(3,4-difluorophenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(3,4-difluorophenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(3,4-difluorobenzyl)purin-2-yl]-butyl-amine Formula: C16H17BrF2N6 MolecularWeight: 411.247186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC(=C(C=C3)F)F)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC(=C(C=C3)F)F)Br

InChI

InChI=1S/C16H17BrF2N6/c1-2-3-6-21-16-23-13(20)12-14(24-16)25(15(17)22-12)8-9-4-5-10(18)11(19)7-9/h4-5,7H,2-3,6,8H2,1H3,(H3,20,21,23,24)