methyl (2S)-3-(2-chloranyl-6-iodanyl-purin-9-yl)-2-[(triphenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(2-chloranyl-6-iodanyl-purin-9-yl)-2-[(triphenylmethyl)amino]propanoate Openeye Name: methyl (2S)-3-(2-chloro-6-iodo-purin-9-yl)-2-(tritylamino)propanoate CAS Name: (2S)-3-(2-chloro-6-iodo-9-purinyl)-2-[(triphenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(2-chloro-6-iodopurin-9-yl)-2-(tritylamino)propanoate Traditional Name: (2S)-3-(2-chloro-6-iodo-purin-9-yl)-2-(tritylamino)propionic acid methyl ester Formula: C28H23ClIN5O2 MolecularWeight: 623.87199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClIN5O2/c1-37-26(36)22(17-35-18-31-23-24(30)32-27(29)33-25(23)35)34-28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22,34H,17H2,1H3/t22-/m0/s1