2-methoxy-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 2-methoxy-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-methoxy-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzonitrile CAS Name: 2-methoxy-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzonitrile IUPAC Name: 2-methoxy-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile Traditional Name: 2-methoxy-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2/c1-28-21-14-16(2-3-17(21)15-23)20-8-9-24-22(26-20)25-18-4-6-19(7-5-18)27-10-12-29-13-11-27/h2-9,14H,10-13H2,1H3,(H,24,25,26)