3-[[2-(3-hydroxyphenyl)-6-morpholin-4-yl-pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-(3-hydroxyphenyl)-6-morpholin-4-yl-pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[2-(3-hydroxyphenyl)-6-morpholino-pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[2-(3-hydroxyphenyl)-6-(4-morpholinyl)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[2-(3-hydroxyphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[2-(3-hydroxyphenyl)-6-morpholino-pyrimidin-4-yl]amino]benzonitrile Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)C3=CC(=CC=C3)O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)C3=CC(=CC=C3)O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N5O2/c22-14-15-3-1-5-17(11-15)23-19-13-20(26-7-9-28-10-8-26)25-21(24-19)16-4-2-6-18(27)12-16/h1-6,11-13,27H,7-10H2,(H,23,24,25)