2-(3,5-dimethylpiperazin-1-yl)-4-(2-methylphenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-methylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(o-tolyl)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-dimethyl-1-piperazinyl)-4-(2-methylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-methylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-dimethylpiperazino)-4-(o-tolyl)pyrimidine-5-carboxylic acid Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC=C(C(=N2)C3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC=C(C(=N2)C3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C18H22N4O2/c1-11-6-4-5-7-14(11)16-15(17(23)24)8-19-18(21-16)22-9-12(2)20-13(3)10-22/h4-8,12-13,20H,9-10H2,1-3H3,(H,23,24)