6-azanyl-2-butoxy-9-[[4-[3-[methyl(2-phenoxyethyl)amino]propyl]piperidin-1-yl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[[4-[3-[methyl(2-phenoxyethyl)amino]propyl]piperidin-1-yl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[4-[3-[methyl(2-phenoxyethyl)amino]propyl]-1-piperidyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[4-[3-[methyl(2-phenoxyethyl)amino]propyl]-1-piperidinyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[[4-[3-[methyl(2-phenoxyethyl)amino]propyl]piperidin-1-yl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[[4-[3-[methyl(2-phenoxyethyl)amino]propyl]piperidino]methyl]-7H-purin-8-one Formula: C27H41N7O3 MolecularWeight: 511.65954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CN3CCC(CC3)CCCN(C)CCOC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CN3CCC(CC3)CCCN(C)CCOC4=CC=CC=C4

InChI

InChI=1S/C27H41N7O3/c1-3-4-18-37-26-30-24(28)23-25(31-26)34(27(35)29-23)20-33-15-12-21(13-16-33)9-8-14-32(2)17-19-36-22-10-6-5-7-11-22/h5-7,10-11,21H,3-4,8-9,12-20H2,1-2H3,(H,29,35)(H2,28,30,31)