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

Systemtic Name: 4-[5-chloranyl-2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide Openeye Name: 4-[5-chloro-2-(4-morpholinoanilino)pyrimidin-4-yl]-N-(cyanomethyl)benzamide CAS Name: 4-[5-chloro-2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-N-(cyanomethyl)benzamide IUPAC Name: 4-[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(cyanomethyl)benzamide Traditional Name: 4-[5-chloro-2-(4-morpholinoanilino)pyrimidin-4-yl]-N-(cyanomethyl)benzamide Formula: C23H21ClN6O2 MolecularWeight: 448.90484

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN6O2/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)