[3-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-(3-pyrrolidin-1-ylpropyl)amino]methyl]phenyl] propanoate

Systemtic Name: [3-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-(3-pyrrolidin-1-ylpropyl)amino]methyl]phenyl] propanoate Openeye Name: [3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-pyrrolidin-1-ylpropyl)amino]methyl]phenyl] propanoate CAS Name: propanoic acid [3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-[3-(1-pyrrolidinyl)propyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-pyrrolidin-1-ylpropyl)amino]methyl]phenyl] propanoate Traditional Name: propionic acid [3-[[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl-(3-pyrrolidinopropyl)amino]methyl]phenyl] ester Formula: C29H43N7O4 MolecularWeight: 553.69622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCCC3)CC4=CC(=CC=C4)OC(=O)CC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCCN3CCCC3)CC4=CC(=CC=C4)OC(=O)CC

InChI

InChI=1S/C29H43N7O4/c1-3-5-19-39-28-32-26(30)25-27(33-28)36(29(38)31-25)18-10-17-35(16-9-15-34-13-6-7-14-34)21-22-11-8-12-23(20-22)40-24(37)4-2/h8,11-12,20H,3-7,9-10,13-19,21H2,1-2H3,(H,31,38)(H2,30,32,33)