[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-bromanylbenzoate

Systemtic Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-bromanylbenzoate Openeye Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl] ester Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H15BrN4O2/c1-10-8-11(2)20-17(19-10)22-15(9-12(3)21-22)24-16(23)13-4-6-14(18)7-5-13/h4-9H,1-3H3