[2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

Systemtic Name: [2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Openeye Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-1-piperidyl]-[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanone CAS Name: [2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-3,3-dimethyl-1-piperidinyl]-[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methanone IUPAC Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethylpiperidin-1-yl]-[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Traditional Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidino]-[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Formula: C24H29BrN6O MolecularWeight: 497.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C(=O)N3CCCC(C3CNC4=NC=C(C=N4)Br)(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C(=O)N3CCCC(C3CNC4=NC=C(C=N4)Br)(C)C)C

InChI

InChI=1S/C24H29BrN6O/c1-16-11-17(2)31(29-16)20-8-5-7-18(12-20)22(32)30-10-6-9-24(3,4)21(30)15-28-23-26-13-19(25)14-27-23/h5,7-8,11-14,21H,6,9-10,15H2,1-4H3,(H,26,27,28)