(phenylmethyl) 2-chloranyl-6-[(4,6-dimethoxypyrimidin-2-yl)amino]benzoate

Systemtic Name: (phenylmethyl) 2-chloranyl-6-[(4,6-dimethoxypyrimidin-2-yl)amino]benzoate Openeye Name: benzyl 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)amino]benzoate CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)amino]benzoate Traditional Name: 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)amino]benzoic acid benzyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC2=C(C(=CC=C2)Cl)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC2=C(C(=CC=C2)Cl)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H18ClN3O4/c1-26-16-11-17(27-2)24-20(23-16)22-15-10-6-9-14(21)18(15)19(25)28-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,22,23,24)