4-(2-chloranyl-4-fluoranyl-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine CAS Name: 4-(2-chloro-4-fluorophenyl)-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxylic acid; 1-methylpiperazine IUPAC Name: 4-(2-chloro-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-2-(4-methylpiperazino)pyrimidine-5-carboxylic acid; 1-methylpiperazine Formula: C21H28ClFN6O2 MolecularWeight: 450.937423

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)C3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)C3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C16H16ClFN4O2.C5H12N2/c1-21-4-6-22(7-5-21)16-19-9-12(15(23)24)14(20-16)11-3-2-10(18)8-13(11)17;1-7-4-2-6-3-5-7/h2-3,8-9H,4-7H2,1H3,(H,23,24);6H,2-5H2,1H3