N2-butyl-9-[(4-fluorophenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(4-fluorophenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(4-fluorophenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(4-fluorophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-fluorophenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(4-fluorobenzyl)purin-2-yl]-butyl-amine Formula: C16H19FN6 MolecularWeight: 314.360663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN6/c1-2-3-8-19-16-21-14(18)13-15(22-16)23(10-20-13)9-11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H3,18,19,21,22)