6-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamoyl]-5-methyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamoyl]-5-methyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[(3-chloro-4-fluoro-phenyl)methylcarbamoyl]-5-methyl-pyrimidine-4-carboxylic acid CAS Name: 6-[[(3-chloro-4-fluorophenyl)methylamino]-oxomethyl]-5-methyl-4-pyrimidinecarboxylic acid IUPAC Name: 6-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-5-methylpyrimidine-4-carboxylic acid Traditional Name: 6-[(3-chloro-4-fluoro-benzyl)carbamoyl]-5-methyl-pyrimidine-4-carboxylic acid Formula: C14H11ClFN3O3 MolecularWeight: 323.706843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1C(=O)O)C(=O)NCC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(N=CN=C1C(=O)O)C(=O)NCC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H11ClFN3O3/c1-7-11(18-6-19-12(7)14(21)22)13(20)17-5-8-2-3-10(16)9(15)4-8/h2-4,6H,5H2,1H3,(H,17,20)(H,21,22)