tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-iodanylpyrimidin-4-yl)amino]propanoate

Systemtic Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-iodanylpyrimidin-4-yl)amino]propanoate Openeye Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-iodopyrimidin-4-yl)amino]propanoate CAS Name: (2S)-3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(5-iodo-4-pyrimidinyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-iodopyrimidin-4-yl)amino]propanoate Traditional Name: (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(5-iodopyrimidin-4-yl)amino]propionic acid tert-butyl ester Formula: C20H25IN4O4 MolecularWeight: 512.34137

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC=NC=C2I

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC=NC=C2I

InChI

InChI=1S/C20H25IN4O4/c1-20(2,3)29-18(26)16(24-17-15(21)11-22-12-23-17)10-13-6-8-14(9-7-13)28-19(27)25(4)5/h6-9,11-12,16H,10H2,1-5H3,(H,22,23,24)/t16-/m0/s1