2-(3,5-dimethylpiperazin-1-yl)-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-dimethyl-1-piperazinyl)-4-(2-fluorophenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-dimethylpiperazino)-4-(2-fluorophenyl)pyrimidine-5-carboxylic acid Formula: C17H19FN4O2 MolecularWeight: 330.356763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC=C(C(=N2)C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC=C(C(=N2)C3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C17H19FN4O2/c1-10-8-22(9-11(2)20-10)17-19-7-13(16(23)24)15(21-17)12-5-3-4-6-14(12)18/h3-7,10-11,20H,8-9H2,1-2H3,(H,23,24)