methyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: methyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: methyl 6-[(2-chloro-4-fluoro-phenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(2-chloro-4-fluoro-benzyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester Formula: C16H13ClFN3O3 MolecularWeight: 349.744123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OC)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C(=O)OC)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3O3/c1-8-11(5-9-3-4-10(18)6-13(9)17)15(22)21-14(20-8)12(7-19-21)16(23)24-2/h3-4,6-7,19H,5H2,1-2H3