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

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[4-(p-tolylmethyl)piperazin-1-yl]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]-1-piperazinyl]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[4-(4-methylbenzyl)piperazino]propyl]-7H-purin-8-one Formula: C24H35N7O2 MolecularWeight: 453.5804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(CC3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(CC3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C24H35N7O2/c1-3-4-16-33-23-27-21(25)20-22(28-23)31(24(32)26-20)11-5-10-29-12-14-30(15-13-29)17-19-8-6-18(2)7-9-19/h6-9H,3-5,10-17H2,1-2H3,(H,26,32)(H2,25,27,28)