methyl 4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[2-butoxy-6-(2-morpholinoethylamino)purin-9-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[2-butoxy-6-[2-(4-morpholinyl)ethylamino]-9-purinyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[2-butoxy-6-(2-morpholin-4-ylethylamino)purin-9-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[2-butoxy-6-(2-morpholinoethylamino)purin-9-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C25H34N6O5 MolecularWeight: 498.57466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=C(C=C4)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=C(C=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C25H34N6O5/c1-4-5-12-36-25-28-22(26-8-9-30-10-13-35-14-11-30)21-23(29-25)31(17-27-21)16-19-7-6-18(24(32)34-3)15-20(19)33-2/h6-7,15,17H,4-5,8-14,16H2,1-3H3,(H,26,28,29)