[6-azanyl-8-(3-fluorophenyl)purin-9-yl] 2-iodanyl-2-methyl-butanoate

Systemtic Name: [6-azanyl-8-(3-fluorophenyl)purin-9-yl] 2-iodanyl-2-methyl-butanoate Openeye Name: [6-amino-8-(3-fluorophenyl)purin-9-yl] 2-iodo-2-methyl-butanoate CAS Name: 2-iodo-2-methylbutanoic acid [6-amino-8-(3-fluorophenyl)-9-purinyl] ester IUPAC Name: [6-amino-8-(3-fluorophenyl)purin-9-yl] 2-iodo-2-methylbutanoate Traditional Name: 2-iodo-2-methyl-butyric acid [6-amino-8-(3-fluorophenyl)purin-9-yl] ester Formula: C16H15FIN5O2 MolecularWeight: 455.225473

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)ON1C2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)F)I

Isomeric SMILES

CCC(C)(C(=O)ON1C2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)F)I

InChI

InChI=1S/C16H15FIN5O2/c1-3-16(2,18)15(24)25-23-13(9-5-4-6-10(17)7-9)22-11-12(19)20-8-21-14(11)23/h4-8H,3H2,1-2H3,(H2,19,20,21)