1-[3-[[5-bromanyl-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-bromanyl-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-bromo-2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H18BrN5O MolecularWeight: 400.27242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=C(C(=N2)NC3=CC=CC(=C3)C(=O)C)Br)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=C(C(=N2)NC3=CC=CC(=C3)C(=O)C)Br)C)C

InChI

InChI=1S/C18H18BrN5O/c1-10-8-11(2)24(23-10)18-20-12(3)16(19)17(22-18)21-15-7-5-6-14(9-15)13(4)25/h5-9H,1-4H3,(H,20,21,22)