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

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[(4-methylsulfanylphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[(4-methylsulfanylphenyl)methyl-(3-morpholinopropyl)amino]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[[4-(methylthio)phenyl]methyl-[3-(4-morpholinyl)propyl]amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[(4-methylsulfanylphenyl)methyl-(3-morpholin-4-ylpropyl)amino]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[[4-(methylthio)benzyl]-(3-morpholinopropyl)amino]propyl]-7H-purin-8-one Formula: C27H41N7O3S MolecularWeight: 543.72454

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H41N7O3S/c1-3-4-17-37-26-30-24(28)23-25(31-26)34(27(35)29-23)14-6-13-33(12-5-11-32-15-18-36-19-16-32)20-21-7-9-22(38-2)10-8-21/h7-10H,3-6,11-20H2,1-2H3,(H,29,35)(H2,28,30,31)