3-[[6-(3-hydroxyphenyl)-2-morpholin-4-yl-purin-9-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[6-(3-hydroxyphenyl)-2-morpholin-4-yl-purin-9-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]methyl]benzonitrile CAS Name: 3-[[6-(3-hydroxyphenyl)-2-(4-morpholinyl)-9-purinyl]methyl]benzonitrile IUPAC Name: 3-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]benzonitrile Traditional Name: 3-[[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]methyl]benzonitrile Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=CC(=C4)C#N)C5=CC(=CC=C5)O

Isomeric SMILES

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)CC4=CC=CC(=C4)C#N)C5=CC(=CC=C5)O

InChI

InChI=1S/C23H20N6O2/c24-13-16-3-1-4-17(11-16)14-29-15-25-21-20(18-5-2-6-19(30)12-18)26-23(27-22(21)29)28-7-9-31-10-8-28/h1-6,11-12,15,30H,7-10,14H2