4-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(4-chloro-2-fluoro-anilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(4-chloro-2-fluoroanilino)-5-methyl-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(4-chloro-2-fluoroanilino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(4-chloro-2-fluoro-anilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C16H12ClFN4O2 MolecularWeight: 346.743483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C16H12ClFN4O2/c1-8-6-20-16(21-12-3-2-10(17)5-11(12)18)22-14(8)9-4-13(15(23)24)19-7-9/h2-7,19H,1H3,(H,23,24)(H,20,21,22)