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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43N7O5/c1-4-5-16-40-27-31-25(29)24-26(32-27)35(28(36)30-24)13-7-12-34(11-6-10-33-14-17-39-18-15-33)20-21-8-9-22(37-2)23(19-21)38-3/h8-9,19H,4-7,10-18,20H2,1-3H3,(H,30,36)(H2,29,31,32)