N-(cyanomethyl)-3-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-3-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-3-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-3-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-3-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide Formula: C23H22N6O2 MolecularWeight: 414.45978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=CC=C4)C(=O)NCC#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC(=CC=C4)C(=O)NCC#N

InChI

InChI=1S/C23H22N6O2/c24-9-11-25-22(30)18-3-1-2-17(16-18)21-8-10-26-23(28-21)27-19-4-6-20(7-5-19)29-12-14-31-15-13-29/h1-8,10,16H,11-15H2,(H,25,30)(H,26,27,28)