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

Systemtic Name: 2-[6-(3-hydroxyphenyl)-2-morpholin-4-yl-purin-9-yl]ethanenitrile Openeye Name: 2-[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]acetonitrile CAS Name: 2-[6-(3-hydroxyphenyl)-2-(4-morpholinyl)-9-purinyl]acetonitrile IUPAC Name: 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetonitrile Traditional Name: 2-[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]acetonitrile Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2/c18-4-5-23-11-19-15-14(12-2-1-3-13(24)10-12)20-17(21-16(15)23)22-6-8-25-9-7-22/h1-3,10-11,24H,5-9H2