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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(2-pyridylmethoxy)pyrimidine-5-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-pyridinylmethoxy)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(pyridin-2-ylmethoxy)pyrimidine-5-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-pyridylmethoxy)pyrimidine-5-carboxylic acid Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O4/c1-27-16-6-5-12(8-15(16)20)9-22-17-14(18(25)26)10-23-19(24-17)28-11-13-4-2-3-7-21-13/h2-8,10H,9,11H2,1H3,(H,25,26)(H,22,23,24)