4-[2-[2-(3-hydroxyphenyl)-6-morpholin-4-yl-purin-9-yl]ethanoyl]piperazin-2-one

Systemtic Name: 4-[2-[2-(3-hydroxyphenyl)-6-morpholin-4-yl-purin-9-yl]ethanoyl]piperazin-2-one Openeye Name: 4-[2-[2-(3-hydroxyphenyl)-6-morpholino-purin-9-yl]acetyl]piperazin-2-one CAS Name: 4-[2-[2-(3-hydroxyphenyl)-6-(4-morpholinyl)-9-purinyl]-1-oxoethyl]-2-piperazinone IUPAC Name: 4-[2-[2-(3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]acetyl]piperazin-2-one Traditional Name: 4-[2-[2-(3-hydroxyphenyl)-6-morpholino-purin-9-yl]acetyl]piperazin-2-one Formula: C21H23N7O4 MolecularWeight: 437.45182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CC(=CC=C5)O

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CC(=CC=C5)O

InChI

InChI=1S/C21H23N7O4/c29-15-3-1-2-14(10-15)19-24-20(26-6-8-32-9-7-26)18-21(25-19)28(13-23-18)12-17(31)27-5-4-22-16(30)11-27/h1-3,10,13,29H,4-9,11-12H2,(H,22,30)