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

Systemtic Name: 2-chloranyl-4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzonitrile CAS Name: 2-chloro-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzonitrile IUPAC Name: 2-chloro-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile Traditional Name: 2-chloro-4-[2-(4-morpholinoanilino)pyrimidin-4-yl]benzonitrile Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O/c22-19-13-15(1-2-16(19)14-23)20-7-8-24-21(26-20)25-17-3-5-18(6-4-17)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H,24,25,26)