6-azanyl-2-butoxy-9-[3-[(3,5-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[(3,5-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[(3,5-dimethoxyphenyl)methyl-(3-morpholinopropyl)amino]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[(3,5-dimethoxyphenyl)methyl-[3-(4-morpholinyl)propyl]amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[(3,5-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[(3,5-dimethoxybenzyl)-(3-morpholinopropyl)amino]propyl]-7H-purin-8-one Formula: C28H43N7O5 MolecularWeight: 557.68492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCOCC3)CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCOCC3)CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H43N7O5/c1-4-5-14-40-27-31-25(29)24-26(32-27)35(28(36)30-24)11-7-10-34(9-6-8-33-12-15-39-16-13-33)20-21-17-22(37-2)19-23(18-21)38-3/h17-19H,4-16,20H2,1-3H3,(H,30,36)(H2,29,31,32)