3-[4-[[5-bromanyl-4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide

Systemtic Name: 3-[4-[[5-bromanyl-4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide Openeye Name: 3-[4-[[5-bromo-4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]-1-piperidyl]benzamide CAS Name: 3-[4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]-1-piperidinyl]benzamide IUPAC Name: 3-[4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide Traditional Name: 3-[4-[[5-bromo-4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]piperidino]benzamide Formula: C25H25BrN6O2 MolecularWeight: 521.409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN6O2/c1-15-10-17(13-27)11-16(2)22(15)34-24-21(26)14-29-25(31-24)30-19-6-8-32(9-7-19)20-5-3-4-18(12-20)23(28)33/h3-5,10-12,14,19H,6-9H2,1-2H3,(H2,28,33)(H,29,30,31)