2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzoic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzoic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzoic acid CAS Name: 2-[(4,6-dimethoxy-5-pyrimidinyl)methylamino]benzoic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzoic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]benzoic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=N1)OC)CNC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=C(C(=NC=N1)OC)CNC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-20-12-10(13(21-2)17-8-16-12)7-15-11-6-4-3-5-9(11)14(18)19/h3-6,8,15H,7H2,1-2H3,(H,18,19)