N-(2-cyanopropan-2-yl)-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(2-cyanopropan-2-yl)-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide CAS Name: N-(2-cyanopropan-2-yl)-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(2-cyanopropan-2-yl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)NC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC(C)(C#N)NC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H26N6O2/c1-25(2,17-26)30-23(32)19-5-3-18(4-6-19)22-11-12-27-24(29-22)28-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h3-12H,13-16H2,1-2H3,(H,30,32)(H,27,28,29)