4-[iodanyl-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]methoxy]butanoic acid

Systemtic Name: 4-[iodanyl-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]methoxy]butanoic acid Openeye Name: 4-[iodo-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]methoxy]butanoic acid CAS Name: 4-[iodo-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-9-purinyl]methoxy]butanoic acid IUPAC Name: 4-[iodo-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]methoxy]butanoic acid Traditional Name: 4-[iodo-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]methoxy]butyric acid Formula: C30H28IN5O4 MolecularWeight: 649.47889

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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=C5C(=N4)N(C=N5)C(OCCCC(=O)O)I

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC=C5C(=N4)N(C=N5)C(OCCCC(=O)O)I

InChI

InChI=1S/C30H28IN5O4/c1-39-24-16-14-23(15-17-24)30(21-9-4-2-5-10-21,22-11-6-3-7-12-22)35-29-32-19-25-27(34-29)36(20-33-25)28(31)40-18-8-13-26(37)38/h2-7,9-12,14-17,19-20,28H,8,13,18H2,1H3,(H,37,38)(H,32,34,35)