4-[[2-(3-bromophenyl)-7H-purin-6-yl]oxy]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[2-(3-bromophenyl)-7H-purin-6-yl]oxy]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[2-(3-bromophenyl)-7H-purin-6-yl]oxy]-3-fluoro-benzonitrile CAS Name: 4-[[2-(3-bromophenyl)-7H-purin-6-yl]oxy]-3-fluorobenzonitrile IUPAC Name: 4-[[2-(3-bromophenyl)-7H-purin-6-yl]oxy]-3-fluorobenzonitrile Traditional Name: 4-[[2-(3-bromophenyl)-7H-purin-6-yl]oxy]-3-fluoro-benzonitrile Formula: C18H9BrFN5O MolecularWeight: 410.199363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC3=C(C(=N2)OC4=C(C=C(C=C4)C#N)F)NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC3=C(C(=N2)OC4=C(C=C(C=C4)C#N)F)NC=N3

InChI

InChI=1S/C18H9BrFN5O/c19-12-3-1-2-11(7-12)16-24-17-15(22-9-23-17)18(25-16)26-14-5-4-10(8-21)6-13(14)20/h1-7,9H,(H,22,23,24,25)