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

Systemtic Name: 9-[[3,4-bis(fluoranyl)phenyl]methyl]-N2-butyl-purine-2,6-diamine Openeye Name: N2-butyl-9-[(3,4-difluorophenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(3,4-difluorophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(3,4-difluorophenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(3,4-difluorobenzyl)purin-2-yl]-butyl-amine Formula: C16H18F2N6 MolecularWeight: 332.351126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H18F2N6/c1-2-3-6-20-16-22-14(19)13-15(23-16)24(9-21-13)8-10-4-5-11(17)12(18)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H3,19,20,22,23)