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

Systemtic Name: 4-(4-fluoranylphenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Openeye Name: 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine CAS Name: 4-(4-fluorophenoxy)-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxylic acid; 1-methylpiperazine IUPAC Name: 4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Traditional Name: 4-(4-fluorophenoxy)-2-(4-methylpiperazino)pyrimidine-5-carboxylic acid; 1-methylpiperazine Formula: C21H29FN6O3 MolecularWeight: 432.491763

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H17FN4O3.C5H12N2/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;1-7-4-2-6-3-5-7/h2-5,10H,6-9H2,1H3,(H,22,23);6H,2-5H2,1H3