ethyl 2-[3-(3-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate

Systemtic Name: ethyl 2-[3-(3-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[3-(3-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[3-(3-bromophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[3-(3-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1C)C

Isomeric SMILES

CCOC(=O)CC1=C(N2C(=C(C=N2)C3=CC(=CC=C3)Br)N=C1C)C

InChI

InChI=1S/C18H18BrN3O2/c1-4-24-17(23)9-15-11(2)21-18-16(10-20-22(18)12(15)3)13-6-5-7-14(19)8-13/h5-8,10H,4,9H2,1-3H3