6-azanyl-9-[[4-[[bis(2-diethylaminoethyl)amino]methyl]phenyl]methyl]-2-butoxy-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[4-[[bis(2-diethylaminoethyl)amino]methyl]phenyl]methyl]-2-butoxy-7H-purin-8-one Openeye Name: 6-amino-9-[[4-[[bis(2-diethylaminoethyl)amino]methyl]phenyl]methyl]-2-butoxy-7H-purin-8-one CAS Name: 6-amino-9-[[4-[[bis(2-diethylaminoethyl)amino]methyl]phenyl]methyl]-2-butoxy-7H-purin-8-one IUPAC Name: 6-amino-9-[[4-[[bis(2-diethylaminoethyl)amino]methyl]phenyl]methyl]-2-butoxy-7H-purin-8-one Traditional Name: 6-amino-9-[4-[[bis(2-diethylaminoethyl)amino]methyl]benzyl]-2-butoxy-7H-purin-8-one Formula: C29H48N8O2 MolecularWeight: 540.74382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN(CCN(CC)CC)CCN(CC)CC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN(CCN(CC)CC)CCN(CC)CC

InChI

InChI=1S/C29H48N8O2/c1-6-11-20-39-28-32-26(30)25-27(33-28)37(29(38)31-25)22-24-14-12-23(13-15-24)21-36(18-16-34(7-2)8-3)19-17-35(9-4)10-5/h12-15H,6-11,16-22H2,1-5H3,(H,31,38)(H2,30,32,33)