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

Systemtic Name: ethyl 3-(3-bromophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(3-bromophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-(3-bromophenyl)-7-phenyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-bromophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 3-(3-bromophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1)C4=CC=CC=C4

InChI

InChI=1S/C21H16BrN3O2/c1-2-27-21(26)18-12-23-20-17(15-9-6-10-16(22)11-15)13-24-25(20)19(18)14-7-4-3-5-8-14/h3-13H,2H2,1H3