ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(2-pyridylmethoxy)pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-pyridinylmethoxy)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-pyridylmethoxy)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)OCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)OCC3=CC=CC=N3

InChI

InChI=1S/C21H21ClN4O4/c1-3-29-20(27)16-12-25-21(30-13-15-6-4-5-9-23-15)26-19(16)24-11-14-7-8-18(28-2)17(22)10-14/h4-10,12H,3,11,13H2,1-2H3,(H,24,25,26)