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

Systemtic Name: methyl 4-[[6-(3-hydroxyphenyl)-2-morpholin-4-yl-purin-9-yl]methyl]benzoate Openeye Name: methyl 4-[[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]methyl]benzoate CAS Name: 4-[[6-(3-hydroxyphenyl)-2-(4-morpholinyl)-9-purinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]benzoate Traditional Name: 4-[[6-(3-hydroxyphenyl)-2-morpholino-purin-9-yl]methyl]benzoic acid methyl ester Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O4/c1-32-23(31)17-7-5-16(6-8-17)14-29-15-25-21-20(18-3-2-4-19(30)13-18)26-24(27-22(21)29)28-9-11-33-12-10-28/h2-8,13,15,30H,9-12,14H2,1H3