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

Systemtic Name: 4-[2-(pyrimidin-2-ylamino)ethyl]benzoic acid Openeye Name: 4-[2-(pyrimidin-2-ylamino)ethyl]benzoic acid CAS Name: 4-[2-(2-pyrimidinylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(pyrimidin-2-ylamino)ethyl]benzoic acid Traditional Name: 4-[2-(2-pyrimidylamino)ethyl]benzoic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O2/c17-12(18)11-4-2-10(3-5-11)6-9-16-13-14-7-1-8-15-13/h1-5,7-8H,6,9H2,(H,17,18)(H,14,15,16)