2-[[3-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]amino]ethanenitrile

Systemtic Name: 2-[[3-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]amino]ethanenitrile Openeye Name: 2-[3-[2-(4-morpholinoanilino)pyrimidin-4-yl]anilino]acetonitrile CAS Name: 2-[3-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]anilino]acetonitrile IUPAC Name: 2-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]acetonitrile Traditional Name: 2-[3-[2-(4-morpholinoanilino)pyrimidin-4-yl]anilino]acetonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O/c23-9-11-24-19-3-1-2-17(16-19)21-8-10-25-22(27-21)26-18-4-6-20(7-5-18)28-12-14-29-15-13-28/h1-8,10,16,24H,11-15H2,(H,25,26,27)