methyl 2-[[4-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[3-(pyrimidin-2-ylamino)benzoyl]amino]benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-[[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]amino]phenyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[3-(pyrimidin-2-ylamino)benzoyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[3-(2-pyrimidylamino)benzoyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C21H19N5O4/c1-30-18(27)13-24-19(28)14-6-8-16(9-7-14)25-20(29)15-4-2-5-17(12-15)26-21-22-10-3-11-23-21/h2-12H,13H2,1H3,(H,24,28)(H,25,29)(H,22,23,26)