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

Systemtic Name: 4-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Openeye Name: 1-methylpiperazine; 2-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyrimidine-5-carboxylic acid CAS Name: 4-(2-methylphenyl)-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxylic acid; 1-methylpiperazine IUPAC Name: 4-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Traditional Name: 1-methylpiperazine; 2-(4-methylpiperazino)-4-(o-tolyl)pyrimidine-5-carboxylic acid Formula: C22H32N6O2 MolecularWeight: 412.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)N3CCN(CC3)C.CN1CCNCC1

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)N3CCN(CC3)C.CN1CCNCC1

InChI

InChI=1S/C17H20N4O2.C5H12N2/c1-12-5-3-4-6-13(12)15-14(16(22)23)11-18-17(19-15)21-9-7-20(2)8-10-21;1-7-4-2-6-3-5-7/h3-6,11H,7-10H2,1-2H3,(H,22,23);6H,2-5H2,1H3