4-(4-fluoranyl-2-methyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-fluoro-2-methylphenyl)-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-piperazin-1-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-2-piperazino-pyrimidine-5-carboxylic acid Formula: C16H17FN4O2 MolecularWeight: 316.330183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)N3CCNCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)N3CCNCC3

InChI

InChI=1S/C16H17FN4O2/c1-10-8-11(17)2-3-12(10)14-13(15(22)23)9-19-16(20-14)21-6-4-18-5-7-21/h2-3,8-9,18H,4-7H2,1H3,(H,22,23)