3-morpholin-4-yl-5-[2-[(4-pyridin-4-ylphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-morpholin-4-yl-5-[2-[(4-pyridin-4-ylphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-morpholino-5-[2-[4-(4-pyridyl)anilino]pyrimidin-4-yl]benzonitrile CAS Name: 3-(4-morpholinyl)-5-[2-(4-pyridin-4-ylanilino)-4-pyrimidinyl]benzonitrile IUPAC Name: 3-morpholin-4-yl-5-[2-(4-pyridin-4-ylanilino)pyrimidin-4-yl]benzonitrile Traditional Name: 3-morpholino-5-[2-[4-(4-pyridyl)anilino]pyrimidin-4-yl]benzonitrile Formula: C26H22N6O MolecularWeight: 434.49248

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C5=CC=NC=C5)C#N

Isomeric SMILES

C1COCCN1C2=CC(=CC(=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C5=CC=NC=C5)C#N

InChI

InChI=1S/C26H22N6O/c27-18-19-15-22(17-24(16-19)32-11-13-33-14-12-32)25-7-10-29-26(31-25)30-23-3-1-20(2-4-23)21-5-8-28-9-6-21/h1-10,15-17H,11-14H2,(H,29,30,31)