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

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[(4-morpholin-4-ylphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[(4-morpholinophenyl)methyl-(3-morpholinopropyl)amino]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[[4-(4-morpholinyl)phenyl]methyl-[3-(4-morpholinyl)propyl]amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[(4-morpholin-4-ylphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[(4-morpholinobenzyl)-(3-morpholinopropyl)amino]propyl]-7H-purin-8-one Formula: C30H46N8O4 MolecularWeight: 582.73744

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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)N5CCOCC5

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCOCC3)CC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C30H46N8O4/c1-2-3-18-42-29-33-27(31)26-28(34-29)38(30(39)32-26)13-5-12-36(11-4-10-35-14-19-40-20-15-35)23-24-6-8-25(9-7-24)37-16-21-41-22-17-37/h6-9H,2-5,10-23H2,1H3,(H,32,39)(H2,31,33,34)