4-[6-azanyl-8-(3-fluorophenyl)-2-iodanyl-purin-9-yl]butanoic acid

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-2-iodanyl-purin-9-yl]butanoic acid Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]butanoic acid CAS Name: 4-[6-amino-8-(3-fluorophenyl)-2-iodo-9-purinyl]butanoic acid IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-2-iodopurin-9-yl]butanoic acid Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]butyric acid Formula: C15H13FIN5O2 MolecularWeight: 441.198893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NC3=C(N2CCCC(=O)O)N=C(N=C3N)I

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NC3=C(N2CCCC(=O)O)N=C(N=C3N)I

InChI

InChI=1S/C15H13FIN5O2/c16-9-4-1-3-8(7-9)13-19-11-12(18)20-15(17)21-14(11)22(13)6-2-5-10(23)24/h1,3-4,7H,2,5-6H2,(H,23,24)(H2,18,20,21)