4-[2-[2,6-bis(azanyl)pyrimidin-4-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2,6-bis(azanyl)pyrimidin-4-yl]ethyl]benzoic acid Openeye Name: 4-[2-(2,6-diaminopyrimidin-4-yl)ethyl]benzoic acid CAS Name: 4-[2-(2,6-diamino-4-pyrimidinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(2,6-diaminopyrimidin-4-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2,6-diaminopyrimidin-4-yl)ethyl]benzoic acid Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC(=NC(=N2)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC(=NC(=N2)N)N)C(=O)O

InChI

InChI=1S/C13H14N4O2/c14-11-7-10(16-13(15)17-11)6-3-8-1-4-9(5-2-8)12(18)19/h1-2,4-5,7H,3,6H2,(H,18,19)(H4,14,15,16,17)