methyl 6-[(3-bromophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: methyl 6-[(3-bromophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: methyl 6-[(3-bromophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 6-[(3-bromophenyl)methyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(3-bromophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 6-(3-bromobenzyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester Formula: C17H16BrN3O2 MolecularWeight: 374.23184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)OC)C)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)OC)C)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3O2/c1-10-14(8-12-5-4-6-13(18)7-12)11(2)21-16(20-10)15(9-19-21)17(22)23-3/h4-7,9H,8H2,1-3H3