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

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[3-morpholin-4-ylpropyl-[(4-propoxyphenyl)methyl]amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[3-morpholinopropyl-[(4-propoxyphenyl)methyl]amino]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[3-(4-morpholinyl)propyl-[(4-propoxyphenyl)methyl]amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[3-morpholin-4-ylpropyl-[(4-propoxyphenyl)methyl]amino]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[3-morpholinopropyl-(4-propoxybenzyl)amino]propyl]-7H-purin-8-one Formula: C29H45N7O4 MolecularWeight: 555.7121

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H45N7O4/c1-3-5-19-40-28-32-26(30)25-27(33-28)36(29(37)31-25)15-7-14-35(13-6-12-34-16-20-38-21-17-34)22-23-8-10-24(11-9-23)39-18-4-2/h8-11H,3-7,12-22H2,1-2H3,(H,31,37)(H2,30,32,33)