9-[[1-bromanyl-2-fluoranyl-3-(phenylmethoxymethyl)cyclopropyl]methyl]purin-6-amine

Systemtic Name: 9-[[1-bromanyl-2-fluoranyl-3-(phenylmethoxymethyl)cyclopropyl]methyl]purin-6-amine Openeye Name: 9-[[2-(benzyloxymethyl)-1-bromo-3-fluoro-cyclopropyl]methyl]purin-6-amine CAS Name: 9-[[1-bromo-2-fluoro-3-(phenylmethoxymethyl)cyclopropyl]methyl]-6-purinamine IUPAC Name: 9-[[1-bromo-2-fluoro-3-(phenylmethoxymethyl)cyclopropyl]methyl]purin-6-amine Traditional Name: [9-[[2-(benzoxymethyl)-1-bromo-3-fluoro-cyclopropyl]methyl]purin-6-yl]amine Formula: C17H17BrFN5O MolecularWeight: 406.252183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C2(CN3C=NC4=C3N=CN=C4N)Br)F

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C2(CN3C=NC4=C3N=CN=C4N)Br)F

InChI

InChI=1S/C17H17BrFN5O/c18-17(8-24-10-23-13-15(20)21-9-22-16(13)24)12(14(17)19)7-25-6-11-4-2-1-3-5-11/h1-5,9-10,12,14H,6-8H2,(H2,20,21,22)