3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[[2-(4-methylpyrimidin-5-yl)-4H-pyrimidin-3-yl]amino]phenyl]benzamide

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[[2-(4-methylpyrimidin-5-yl)-4H-pyrimidin-3-yl]amino]phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[4-methyl-3-[[2-(4-methylpyrimidin-5-yl)-4H-pyrimidin-3-yl]amino]phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[[2-(4-methyl-5-pyrimidinyl)-4H-pyrimidin-3-yl]amino]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[[2-(4-methylpyrimidin-5-yl)-4H-pyrimidin-3-yl]amino]phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[4-methyl-3-[[2-(4-methylpyrimidin-5-yl)-4H-pyrimidin-3-yl]amino]phenyl]benzamide Formula: C27H27N7O MolecularWeight: 465.54958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NN3CC=CN=C3C4=CN=CN=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NN3CC=CN=C3C4=CN=CN=C4C

InChI

InChI=1S/C27H27N7O/c1-18-9-10-22(32-26(35)20-7-5-8-21(13-20)27(3,4)16-28)14-24(18)33-34-12-6-11-30-25(34)23-15-29-17-31-19(23)2/h5-11,13-15,17,33H,12H2,1-4H3,(H,32,35)