[2-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]-4,4-diethoxy-butyl] ethanoate

Systemtic Name: [2-[(2-azanyl-6-iodanyl-purin-9-yl)methyl]-4,4-diethoxy-butyl] ethanoate Openeye Name: [2-[(2-amino-6-iodo-purin-9-yl)methyl]-4,4-diethoxy-butyl] acetate CAS Name: acetic acid [2-[(2-amino-6-iodo-9-purinyl)methyl]-4,4-diethoxybutyl] ester IUPAC Name: [2-[(2-amino-6-iodopurin-9-yl)methyl]-4,4-diethoxybutyl] acetate Traditional Name: acetic acid [2-[(2-amino-6-iodo-purin-9-yl)methyl]-4,4-diethoxy-butyl] ester Formula: C16H24IN5O4 MolecularWeight: 477.29733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(CN1C=NC2=C1N=C(N=C2I)N)COC(=O)C)OCC

Isomeric SMILES

CCOC(CC(CN1C=NC2=C1N=C(N=C2I)N)COC(=O)C)OCC

InChI

InChI=1S/C16H24IN5O4/c1-4-24-12(25-5-2)6-11(8-26-10(3)23)7-22-9-19-13-14(17)20-16(18)21-15(13)22/h9,11-12H,4-8H2,1-3H3,(H2,18,20,21)