6-azanyl-2-butoxy-9-[3-[2-dimethylaminoethyl-(phenylmethyl)amino]propyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[2-dimethylaminoethyl-(phenylmethyl)amino]propyl]-7H-purin-8-one Openeye Name: 6-amino-9-[3-[benzyl(2-dimethylaminoethyl)amino]propyl]-2-butoxy-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[2-dimethylaminoethyl-(phenylmethyl)amino]propyl]-7H-purin-8-one IUPAC Name: 6-amino-9-[3-[benzyl(2-dimethylaminoethyl)amino]propyl]-2-butoxy-7H-purin-8-one Traditional Name: 6-amino-9-[3-[benzyl(2-dimethylaminoethyl)amino]propyl]-2-butoxy-7H-purin-8-one Formula: C23H35N7O2 MolecularWeight: 441.5697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N7O2/c1-4-5-16-32-22-26-20(24)19-21(27-22)30(23(31)25-19)13-9-12-29(15-14-28(2)3)17-18-10-7-6-8-11-18/h6-8,10-11H,4-5,9,12-17H2,1-3H3,(H,25,31)(H2,24,26,27)