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

Systemtic Name: 4-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-(2-dimethylaminoethylamino)-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-(2-dimethylaminoethylamino)pyrimidin-4-yl]benzoic acid Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)CCNC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H18N4O2/c1-19(2)10-9-17-15-16-8-7-13(18-15)11-3-5-12(6-4-11)14(20)21/h3-8H,9-10H2,1-2H3,(H,20,21)(H,16,17,18)