4-[5-bromanyl-2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[5-bromanyl-2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-[[1-(3-methylsulfonylphenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-[[1-(3-methylsulfonylphenyl)-4-piperidinyl]amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-[[1-(3-mesylphenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C25H26BrN5O3S MolecularWeight: 556.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC=C2Br)NC3CCN(CC3)C4=CC(=CC=C4)S(=O)(=O)C)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC=C2Br)NC3CCN(CC3)C4=CC(=CC=C4)S(=O)(=O)C)C)C#N

InChI

InChI=1S/C25H26BrN5O3S/c1-16-11-18(14-27)12-17(2)23(16)34-24-22(26)15-28-25(30-24)29-19-7-9-31(10-8-19)20-5-4-6-21(13-20)35(3,32)33/h4-6,11-13,15,19H,7-10H2,1-3H3,(H,28,29,30)