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

Systemtic Name: 4-(2-chloranylphenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Openeye Name: 4-(2-chlorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine CAS Name: 4-(2-chlorophenoxy)-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxylic acid; 1-methylpiperazine IUPAC Name: 4-(2-chlorophenoxy)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Traditional Name: 4-(2-chlorophenoxy)-2-(4-methylpiperazino)pyrimidine-5-carboxylic acid; 1-methylpiperazine Formula: C21H29ClN6O3 MolecularWeight: 448.94636

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C16H17ClN4O3.C5H12N2/c1-20-6-8-21(9-7-20)16-18-10-11(15(22)23)14(19-16)24-13-5-3-2-4-12(13)17;1-7-4-2-6-3-5-7/h2-5,10H,6-9H2,1H3,(H,22,23);6H,2-5H2,1H3