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

Systemtic Name: ethyl 2-[3-(3-bromophenyl)-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[3-(3-bromophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[3-(3-bromophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[3-(3-bromophenyl)-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester Formula: C17H16BrN3O3 MolecularWeight: 390.23124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C2C(=CNN2C1=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C2C(=CNN2C1=O)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C17H16BrN3O3/c1-3-24-15(22)8-13-10(2)20-16-14(9-19-21(16)17(13)23)11-5-4-6-12(18)7-11/h4-7,9,19H,3,8H2,1-2H3