2-chloranyl-6-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 2-chloro-6-[[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amino]benzonitrile CAS Name: 2-[[2-[3,5-bis(4-morpholinyl)anilino]-4-pyrimidinyl]-methylamino]-6-chlorobenzonitrile IUPAC Name: 2-chloro-6-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]benzonitrile Traditional Name: 2-chloro-6-[[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amino]benzonitrile Formula: C26H28ClN7O2 MolecularWeight: 505.99922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=CC=C1)Cl)C#N)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5

Isomeric SMILES

CN(C1=C(C(=CC=C1)Cl)C#N)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C26H28ClN7O2/c1-32(24-4-2-3-23(27)22(24)18-28)25-5-6-29-26(31-25)30-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,29,30,31)