4-[2-(pyrimidin-2-ylamino)ethoxy]benzoic acid

Systemtic Name: 4-[2-(pyrimidin-2-ylamino)ethoxy]benzoic acid Openeye Name: 4-[2-(pyrimidin-2-ylamino)ethoxy]benzoic acid CAS Name: 4-[2-(2-pyrimidinylamino)ethoxy]benzoic acid IUPAC Name: 4-[2-(pyrimidin-2-ylamino)ethoxy]benzoic acid Traditional Name: 4-[2-(2-pyrimidylamino)ethoxy]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O3/c17-12(18)10-2-4-11(5-3-10)19-9-8-16-13-14-6-1-7-15-13/h1-7H,8-9H2,(H,17,18)(H,14,15,16)