2-(3,5-dimethylpiperazin-1-yl)-4-(4-fluoranyl-2-methyl-phenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(4-fluoranyl-2-methyl-phenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(4-fluoro-2-methyl-phenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-dimethyl-1-piperazinyl)-4-(4-fluoro-2-methylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-dimethylpiperazin-1-yl)-4-(4-fluoro-2-methylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-dimethylpiperazino)-4-(4-fluoro-2-methyl-phenyl)pyrimidine-5-carboxylic acid Formula: C18H21FN4O2 MolecularWeight: 344.383343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O2/c1-10-6-13(19)4-5-14(10)16-15(17(24)25)7-20-18(22-16)23-8-11(2)21-12(3)9-23/h4-7,11-12,21H,8-9H2,1-3H3,(H,24,25)