3-[2-oxidanyl-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[2-oxidanyl-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[2-hydroxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid CAS Name: 3-[2-hydroxy-2-[(2-pyrimidinylamino)methyl]-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[2-hydroxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid Traditional Name: 3-[2-hydroxy-2-[(2-pyrimidylamino)methyl]pyrrolidino]benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=CC(=C2)C(=O)O)(CNC3=NC=CC=N3)O

Isomeric SMILES

C1CC(N(C1)C2=CC=CC(=C2)C(=O)O)(CNC3=NC=CC=N3)O

InChI

InChI=1S/C16H18N4O3/c21-14(22)12-4-1-5-13(10-12)20-9-2-6-16(20,23)11-19-15-17-7-3-8-18-15/h1,3-5,7-8,10,23H,2,6,9,11H2,(H,21,22)(H,17,18,19)