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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(C(C3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(C(C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H35N7O2/c1-3-4-15-33-23-27-21(25)20-22(28-23)31(24(32)26-20)12-8-11-30-14-13-29(2)19(17-30)16-18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3,(H,26,32)(H2,25,27,28)