4-(4-fluoranylphenoxy)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine

Systemtic Name: 4-(4-fluoranylphenoxy)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine Openeye Name: 4-(4-fluorophenoxy)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine CAS Name: 4-(4-fluorophenoxy)-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid; piperazine IUPAC Name: 4-(4-fluorophenoxy)-2-piperazin-1-ylpyrimidine-5-carboxylic acid; piperazine Traditional Name: 4-(4-fluorophenoxy)-2-piperazino-pyrimidine-5-carboxylic acid; piperazine Formula: C19H25FN6O3 MolecularWeight: 404.438603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1CN(CCN1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CNCCN1.C1CN(CCN1)C2=NC=C(C(=N2)OC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C15H15FN4O3.C4H10N2/c16-10-1-3-11(4-2-10)23-13-12(14(21)22)9-18-15(19-13)20-7-5-17-6-8-20;1-2-6-4-3-5-1/h1-4,9,17H,5-8H2,(H,21,22);5-6H,1-4H2