8-bromanyl-9-(2-fluoranylpropyl)-2-phenethyloxy-purin-6-amine

Systemtic Name: 8-bromanyl-9-(2-fluoranylpropyl)-2-phenethyloxy-purin-6-amine Openeye Name: 8-bromo-9-(2-fluoropropyl)-2-phenethyloxy-purin-6-amine CAS Name: 8-bromo-9-(2-fluoropropyl)-2-phenethyloxy-6-purinamine IUPAC Name: 8-bromo-9-(2-fluoropropyl)-2-phenethyloxypurin-6-amine Traditional Name: [8-bromo-9-(2-fluoropropyl)-2-phenethyloxy-purin-6-yl]amine Formula: C16H17BrFN5O MolecularWeight: 394.241483

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br)F

Isomeric SMILES

CC(CN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br)F

InChI

InChI=1S/C16H17BrFN5O/c1-10(18)9-23-14-12(20-15(23)17)13(19)21-16(22-14)24-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,19,21,22)