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

Systemtic Name: 5-(4-fluoranyl-2-methyl-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid Openeye Name: 5-(4-fluoro-2-methyl-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid CAS Name: 5-(4-fluoro-2-methylphenyl)-2-(4-methyl-1-piperazinyl)-4-pyrimidinecarboxylic acid IUPAC Name: 5-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid Traditional Name: 5-(4-fluoro-2-methyl-phenyl)-2-(4-methylpiperazino)pyrimidine-4-carboxylic acid Formula: C17H19FN4O2 MolecularWeight: 330.356763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=CN=C(N=C2C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=CN=C(N=C2C(=O)O)N3CCN(CC3)C

InChI

InChI=1S/C17H19FN4O2/c1-11-9-12(18)3-4-13(11)14-10-19-17(20-15(14)16(23)24)22-7-5-21(2)6-8-22/h3-4,9-10H,5-8H2,1-2H3,(H,23,24)