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

Systemtic Name: 3-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 3-[[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amino]benzonitrile CAS Name: 3-[[2-[3,5-bis(4-morpholinyl)anilino]-4-pyrimidinyl]-methylamino]benzonitrile IUPAC Name: 3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]benzonitrile Traditional Name: 3-[[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amino]benzonitrile Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=NC=C1)NC2=CC(=CC(=C2)N3CCOCC3)N4CCOCC4)C5=CC=CC(=C5)C#N

Isomeric SMILES

CN(C1=NC(=NC=C1)NC2=CC(=CC(=C2)N3CCOCC3)N4CCOCC4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H29N7O2/c1-31(22-4-2-3-20(15-22)19-27)25-5-6-28-26(30-25)29-21-16-23(32-7-11-34-12-8-32)18-24(17-21)33-9-13-35-14-10-33/h2-6,15-18H,7-14H2,1H3,(H,28,29,30)