2-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]acetic acid CAS Name: 2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]acetic acid Traditional Name: 2-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]acetic acid Formula: C27H23N5O3 MolecularWeight: 465.50322

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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=CN5CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC=NC5=C4N=CN5CC(=O)O

InChI

InChI=1S/C27H23N5O3/c1-35-22-14-12-21(13-15-22)27(19-8-4-2-5-9-19,20-10-6-3-7-11-20)31-25-24-26(29-17-28-25)32(18-30-24)16-23(33)34/h2-15,17-18H,16H2,1H3,(H,33,34)(H,28,29,31)