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

Systemtic Name: 4-(4-fluoranylphenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid Openeye Name: 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid CAS Name: 4-(4-fluorophenoxy)-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid Traditional Name: 4-(4-fluorophenoxy)-2-(4-methylpiperazino)pyrimidine-5-carboxylic acid Formula: C16H17FN4O3 MolecularWeight: 332.329583

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H17FN4O3/c1-20-6-8-21(9-7-20)16-18-10-13(15(22)23)14(19-16)24-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H,22,23)