4-[2-(pyrimidin-2-ylamino)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[2-(pyrimidin-2-ylamino)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[2-(pyrimidin-2-ylamino)pyrrolidin-1-yl]benzoic acid CAS Name: 4-[2-(2-pyrimidinylamino)-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[2-(pyrimidin-2-ylamino)pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[2-(2-pyrimidylamino)pyrrolidino]benzoic acid Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=C(C=C2)C(=O)O)NC3=NC=CC=N3

Isomeric SMILES

C1CC(N(C1)C2=CC=C(C=C2)C(=O)O)NC3=NC=CC=N3

InChI

InChI=1S/C15H16N4O2/c20-14(21)11-4-6-12(7-5-11)19-10-1-3-13(19)18-15-16-8-2-9-17-15/h2,4-9,13H,1,3,10H2,(H,20,21)(H,16,17,18)