methyl 6-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamoyl]pyrimidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=NC(=C1)C(=O)NCC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C1=NC=NC(=C1)C(=O)NCC2=CC(=C(C=C2)F)Cl

InChI

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