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

Systemtic Name: pyridin-2-ylmethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylate Openeye Name: 2-pyridylmethyl 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 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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 2-pyridylmethyl ester Formula: C25H22ClN5O4 MolecularWeight: 491.92628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)OCC3=CC=CC=N3)OCC4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)OCC3=CC=CC=N3)OCC4=CC=CC=N4)Cl

InChI

InChI=1S/C25H22ClN5O4/c1-33-22-9-8-17(12-21(22)26)13-29-23-20(24(32)34-15-18-6-2-4-10-27-18)14-30-25(31-23)35-16-19-7-3-5-11-28-19/h2-12,14H,13,15-16H2,1H3,(H,29,30,31)