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

Systemtic Name: 4-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 4-[[2-(3,5-dimorpholinoanilino)pyrimidin-4-yl]-methyl-amino]benzonitrile CAS Name: 4-[[2-[3,5-bis(4-morpholinyl)anilino]-4-pyrimidinyl]-methylamino]benzonitrile IUPAC Name: 4-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]benzonitrile Traditional Name: 4-[[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=CC=C(C=C1)C#N)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5

Isomeric SMILES

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

InChI

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