8-bromanyl-9-(2-fluoranylpropyl)-N2-phenethyl-purine-2,6-diamine

Systemtic Name: 8-bromanyl-9-(2-fluoranylpropyl)-N2-phenethyl-purine-2,6-diamine Openeye Name: 8-bromo-9-(2-fluoropropyl)-N2-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-9-(2-fluoropropyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 8-bromo-9-(2-fluoropropyl)-2-N-phenethylpurine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(2-fluoropropyl)purin-2-yl]-phenethyl-amine Formula: C16H18BrFN6 MolecularWeight: 393.256723

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br)F

Isomeric SMILES

CC(CN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br)F

InChI

InChI=1S/C16H18BrFN6/c1-10(18)9-24-14-12(21-15(24)17)13(19)22-16(23-14)20-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H3,19,20,22,23)