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

Systemtic Name: methyl 4-[6-azanyl-8-(3-fluorophenyl)-2-iodanyl-purin-9-yl]butanoate Openeye Name: methyl 4-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]butanoate CAS Name: 4-[6-amino-8-(3-fluorophenyl)-2-iodo-9-purinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[6-amino-8-(3-fluorophenyl)-2-iodopurin-9-yl]butanoate Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-2-iodo-purin-9-yl]butyric acid methyl ester Formula: C16H15FIN5O2 MolecularWeight: 455.225473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C2=C(C(=NC(=N2)I)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)CCCN1C2=C(C(=NC(=N2)I)N)N=C1C3=CC(=CC=C3)F

InChI

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