1,3-dimethyl-7-phenethyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-1,3-dimethyl-7-phenethyl-xanthine Formula: C27H32N6O2 MolecularWeight: 472.58198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H32N6O2/c1-29-25-24(26(34)30(2)27(29)35)33(14-13-21-9-5-3-6-10-21)23(28-25)20-32-17-15-31(16-18-32)19-22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3