methyl 4-[[methyl-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[3-(2-pyrimidylamino)benzoyl]amino]methyl]benzoic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C21H20N4O3/c1-25(14-15-7-9-16(10-8-15)20(27)28-2)19(26)17-5-3-6-18(13-17)24-21-22-11-4-12-23-21/h3-13H,14H2,1-2H3,(H,22,23,24)