methyl (2S)-3-(6-iodanylpurin-9-yl)-2-[(triphenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(6-iodanylpurin-9-yl)-2-[(triphenylmethyl)amino]propanoate Openeye Name: methyl (2S)-3-(6-iodopurin-9-yl)-2-(tritylamino)propanoate CAS Name: (2S)-3-(6-iodo-9-purinyl)-2-[(triphenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(6-iodopurin-9-yl)-2-(tritylamino)propanoate Traditional Name: (2S)-3-(6-iodopurin-9-yl)-2-(tritylamino)propionic acid methyl ester Formula: C28H24IN5O2 MolecularWeight: 589.42693

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1C=NC2=C1N=CN=C2I)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](CN1C=NC2=C1N=CN=C2I)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24IN5O2/c1-36-27(35)23(17-34-19-32-24-25(29)30-18-31-26(24)34)33-28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18-19,23,33H,17H2,1H3/t23-/m0/s1