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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4)C(=O)NCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4)C(=O)NCC#N

InChI

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