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

Systemtic Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-methoxyphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-methoxyphenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-dimethyl-1-piperazinyl)-4-(2-methoxyphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(2-methoxyphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-dimethylpiperazino)-4-(2-methoxyphenyl)pyrimidine-5-carboxylic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC=C(C(=N2)C3=CC=CC=C3OC)C(=O)O

Isomeric SMILES

CC1CN(CC(N1)C)C2=NC=C(C(=N2)C3=CC=CC=C3OC)C(=O)O

InChI

InChI=1S/C18H22N4O3/c1-11-9-22(10-12(2)20-11)18-19-8-14(17(23)24)16(21-18)13-6-4-5-7-15(13)25-3/h4-8,11-12,20H,9-10H2,1-3H3,(H,23,24)