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

Systemtic Name: N-(cyanomethyl)-3-methyl-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-3-methyl-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-3-methyl-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-3-methyl-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-3-methyl-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC#N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC#N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C24H24N6O2/c1-17-16-18(23(31)26-11-9-25)2-7-21(17)22-8-10-27-24(29-22)28-19-3-5-20(6-4-19)30-12-14-32-15-13-30/h2-8,10,16H,11-15H2,1H3,(H,26,31)(H,27,28,29)