N-(cyanomethyl)-4-[5-methoxy-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[5-methoxy-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[5-methoxy-2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[5-methoxy-2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[5-methoxy-2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1C2=CC=C(C=C2)C(=O)NCC#N)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

COC1=CN=C(N=C1C2=CC=C(C=C2)C(=O)NCC#N)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C24H24N6O3/c1-32-21-16-27-24(28-19-6-8-20(9-7-19)30-12-14-33-15-13-30)29-22(21)17-2-4-18(5-3-17)23(31)26-11-10-25/h2-9,16H,11-15H2,1H3,(H,26,31)(H,27,28,29)