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

Systemtic Name: N-(cyanomethyl)-4-[5-fluoranyl-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[5-fluoro-2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[5-fluoro-2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[5-fluoro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[5-fluoro-2-(4-morpholinoanilino)pyrimidin-4-yl]benzamide Formula: C23H21FN6O2 MolecularWeight: 432.450243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN6O2/c24-20-15-27-23(28-18-5-7-19(8-6-18)30-11-13-32-14-12-30)29-21(20)16-1-3-17(4-2-16)22(31)26-10-9-25/h1-8,15H,10-14H2,(H,26,31)(H,27,28,29)