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

Systemtic Name: [3-[[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl-(2-dimethylaminoethyl)amino]methyl]phenyl] propanoate Openeye Name: [3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(2-dimethylaminoethyl)amino]methyl]phenyl] propanoate CAS Name: propanoic acid [3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(2-dimethylaminoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(2-dimethylaminoethyl)amino]methyl]phenyl] propanoate Traditional Name: propionic acid [3-[[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl-(2-dimethylaminoethyl)amino]methyl]phenyl] ester Formula: C26H39N7O4 MolecularWeight: 513.63236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCN(C)C)CC3=CC(=CC=C3)OC(=O)CC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CCN(C)C)CC3=CC(=CC=C3)OC(=O)CC

InChI

InChI=1S/C26H39N7O4/c1-5-7-16-36-25-29-23(27)22-24(30-25)33(26(35)28-22)13-9-12-32(15-14-31(3)4)18-19-10-8-11-20(17-19)37-21(34)6-2/h8,10-11,17H,5-7,9,12-16,18H2,1-4H3,(H,28,35)(H2,27,29,30)