3-[9-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-yl-purin-6-yl]phenol

Systemtic Name: 3-[9-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-yl-purin-6-yl]phenol Openeye Name: 3-[9-[(3,5-dimethoxyphenyl)methyl]-2-morpholino-purin-6-yl]phenol CAS Name: 3-[9-[(3,5-dimethoxyphenyl)methyl]-2-(4-morpholinyl)-6-purinyl]phenol IUPAC Name: 3-[9-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol Traditional Name: 3-[9-(3,5-dimethoxybenzyl)-2-morpholino-purin-6-yl]phenol Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CC(=CC=C5)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CC(=CC=C5)O)OC

InChI

InChI=1S/C24H25N5O4/c1-31-19-10-16(11-20(13-19)32-2)14-29-15-25-22-21(17-4-3-5-18(30)12-17)26-24(27-23(22)29)28-6-8-33-9-7-28/h3-5,10-13,15,30H,6-9,14H2,1-2H3