4-[1-[2-iodanyl-6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-2-oxidanyl-2-oxidanylidene-ethoxy]butanoic acid

Systemtic Name: 4-[1-[2-iodanyl-6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-2-oxidanyl-2-oxidanylidene-ethoxy]butanoic acid Openeye Name: 4-[2-hydroxy-1-[2-iodo-6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-2-oxo-ethoxy]butanoic acid CAS Name: 4-[2-hydroxy-1-[2-iodo-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-9-purinyl]-2-oxoethoxy]butanoic acid IUPAC Name: 4-[2-hydroxy-1-[2-iodo-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-oxoethoxy]butanoic acid Traditional Name: 4-[2-hydroxy-1-[2-iodo-6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]-2-keto-ethoxy]butyric acid Formula: C31H28IN5O6 MolecularWeight: 693.48839

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=NC5=C4N=CN5C(C(=O)O)OCCCC(=O)O)I

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=NC5=C4N=CN5C(C(=O)O)OCCCC(=O)O)I

InChI

InChI=1S/C31H28IN5O6/c1-42-23-16-14-22(15-17-23)31(20-9-4-2-5-10-20,21-11-6-3-7-12-21)36-26-25-27(35-30(32)34-26)37(19-33-25)28(29(40)41)43-18-8-13-24(38)39/h2-7,9-12,14-17,19,28H,8,13,18H2,1H3,(H,38,39)(H,40,41)(H,34,35,36)