5-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid

Systemtic Name: 5-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid Openeye Name: 5-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid CAS Name: 5-(2-chlorophenyl)-2-(4-methyl-1-piperazinyl)-4-pyrimidinecarboxylic acid IUPAC Name: 5-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid Traditional Name: 5-(2-chlorophenyl)-2-(4-methylpiperazino)pyrimidine-4-carboxylic acid Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C(=N2)C(=O)O)C3=CC=CC=C3Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C(=N2)C(=O)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H17ClN4O2/c1-20-6-8-21(9-7-20)16-18-10-12(14(19-16)15(22)23)11-4-2-3-5-13(11)17/h2-5,10H,6-9H2,1H3,(H,22,23)