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

Systemtic Name: 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-(3-chlorophenyl)-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[4-(3-chlorophenyl)piperazino]-1,3-dimethyl-xanthine Formula: C24H25ClN6O2 MolecularWeight: 464.9473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C24H25ClN6O2/c1-27-21-20(22(32)28(2)24(27)33)31(16-17-7-4-3-5-8-17)23(26-21)30-13-11-29(12-14-30)19-10-6-9-18(25)15-19/h3-10,15H,11-14,16H2,1-2H3