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

Systemtic Name: 1,3-dimethyl-8-[4-(phenylcarbonyl)piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(4-benzoylpiperazin-1-yl)-7-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-benzoyl-1-piperazinyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(4-benzoylpiperazin-1-yl)-7-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-benzoylpiperazino)-7-benzyl-1,3-dimethyl-xanthine Formula: C25H26N6O3 MolecularWeight: 458.51234

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)C(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O3/c1-27-21-20(23(33)28(2)25(27)34)31(17-18-9-5-3-6-10-18)24(26-21)30-15-13-29(14-16-30)22(32)19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3