4-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-(dimethylamino)-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)C1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O2/c1-16(2)13-14-8-7-11(15-13)9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H3,(H,17,18)