2-[6-(3-fluorophenyl)-8-iodanyl-purin-9-yl]-4-(methylamino)butanoate

Systemtic Name: 2-[6-(3-fluorophenyl)-8-iodanyl-purin-9-yl]-4-(methylamino)butanoate Openeye Name: 2-[6-(3-fluorophenyl)-8-iodo-purin-9-yl]-4-(methylamino)butanoate CAS Name: 2-[6-(3-fluorophenyl)-8-iodo-9-purinyl]-4-(methylamino)butanoate IUPAC Name: 2-[6-(3-fluorophenyl)-8-iodopurin-9-yl]-4-(methylamino)butanoate Traditional Name: 2-[6-(3-fluorophenyl)-8-iodo-purin-9-yl]-4-(methylamino)butyrate Formula: C16H14FIN5O2- MolecularWeight: 454.217533

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C(=O)[O-])N1C2=NC=NC(=C2N=C1I)C3=CC(=CC=C3)F

Isomeric SMILES

CNCCC(C(=O)[O-])N1C2=NC=NC(=C2N=C1I)C3=CC(=CC=C3)F

InChI

InChI=1S/C16H15FIN5O2/c1-19-6-5-11(15(24)25)23-14-13(22-16(23)18)12(20-8-21-14)9-3-2-4-10(17)7-9/h2-4,7-8,11,19H,5-6H2,1H3,(H,24,25)/p-1