4-[2-(2-azanylpyrimidin-4-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-azanylpyrimidin-4-yl)ethyl]benzoic acid Openeye Name: 4-[2-(2-aminopyrimidin-4-yl)ethyl]benzoic acid CAS Name: 4-[2-(2-amino-4-pyrimidinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(2-aminopyrimidin-4-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2-aminopyrimidin-4-yl)ethyl]benzoic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=NC(=NC=C2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=NC(=NC=C2)N)C(=O)O

InChI

InChI=1S/C13H13N3O2/c14-13-15-8-7-11(16-13)6-3-9-1-4-10(5-2-9)12(17)18/h1-2,4-5,7-8H,3,6H2,(H,17,18)(H2,14,15,16)