4-(2-chloranyl-4-fluoranyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-4-fluorophenyl)-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-2-piperazino-pyrimidine-5-carboxylic acid Formula: C15H14ClFN4O2 MolecularWeight: 336.748663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C(=N2)C3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C(=N2)C3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C15H14ClFN4O2/c16-12-7-9(17)1-2-10(12)13-11(14(22)23)8-19-15(20-13)21-5-3-18-4-6-21/h1-2,7-8,18H,3-6H2,(H,22,23)