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

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[(4-methoxyphenyl)methyl-(3-morpholinopropyl)amino]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[(4-methoxyphenyl)methyl-[3-(4-morpholinyl)propyl]amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[3-morpholinopropyl(p-anisyl)amino]propyl]-7H-purin-8-one Formula: C27H41N7O4 MolecularWeight: 527.65894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N7O4/c1-3-4-17-38-26-30-24(28)23-25(31-26)34(27(35)29-23)14-6-13-33(12-5-11-32-15-18-37-19-16-32)20-21-7-9-22(36-2)10-8-21/h7-10H,3-6,11-20H2,1-2H3,(H,29,35)(H2,28,30,31)