2-[4-[3-[(4-azanyl-3-iodanyl-phenyl)methyl]-2,6-bis(oxidanylidene)-1-propyl-7H-purin-8-yl]phenoxy]ethanoate

Systemtic Name: 2-[4-[3-[(4-azanyl-3-iodanyl-phenyl)methyl]-2,6-bis(oxidanylidene)-1-propyl-7H-purin-8-yl]phenoxy]ethanoate Openeye Name: 2-[4-[3-[(4-amino-3-iodo-phenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetate CAS Name: 2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetate IUPAC Name: 2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetate Traditional Name: 2-[4-[3-(4-amino-3-iodo-benzyl)-2,6-diketo-1-propyl-7H-purin-8-yl]phenoxy]acetate Formula: C23H21IN5O5- MolecularWeight: 574.34781

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OCC(=O)[O-])N(C1=O)CC4=CC(=C(C=C4)N)I

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CC=C(C=C3)OCC(=O)[O-])N(C1=O)CC4=CC(=C(C=C4)N)I

InChI

InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)/p-1