methyl 2-(6-chloranylpurin-9-yl)-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]ethanoate

Systemtic Name: methyl 2-(6-chloranylpurin-9-yl)-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]ethanoate Openeye Name: methyl 2-(6-chloropurin-9-yl)-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]acetate CAS Name: 2-(6-chloro-9-purinyl)-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-(6-chloropurin-9-yl)-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetate Traditional Name: 2-(6-chloropurin-9-yl)-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]acetic acid methyl ester Formula: C28H24ClN5O3 MolecularWeight: 513.97486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(C(=O)OC)N4C=NC5=C4N=CN=C5Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(C(=O)OC)N4C=NC5=C4N=CN=C5Cl

InChI

InChI=1S/C28H24ClN5O3/c1-36-22-15-13-21(14-16-22)28(19-9-5-3-6-10-19,20-11-7-4-8-12-20)33-26(27(35)37-2)34-18-32-23-24(29)30-17-31-25(23)34/h3-18,26,33H,1-2H3