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

Systemtic Name: 5-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid; 1-methylpiperazine Openeye Name: 5-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid; 1-methylpiperazine CAS Name: 5-(2-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-4-pyrimidinecarboxylic acid; 1-methylpiperazine IUPAC Name: 5-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid; 1-methylpiperazine Traditional Name: 5-(2-methoxyphenyl)-2-(4-methylpiperazino)pyrimidine-4-carboxylic acid; 1-methylpiperazine Formula: C22H32N6O3 MolecularWeight: 428.52788

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)C(=O)O)C3=CC=CC=C3OC

Isomeric SMILES

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)C(=O)O)C3=CC=CC=C3OC

InChI

InChI=1S/C17H20N4O3.C5H12N2/c1-20-7-9-21(10-8-20)17-18-11-13(15(19-17)16(22)23)12-5-3-4-6-14(12)24-2;1-7-4-2-6-3-5-7/h3-6,11H,7-10H2,1-2H3,(H,22,23);6H,2-5H2,1H3