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

Systemtic Name: 8-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-(3-chlorobenzoyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-(3-chlorobenzoyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[4-(3-chlorobenzoyl)piperazino]-1,3-dimethyl-xanthine Formula: C25H25ClN6O3 MolecularWeight: 492.9574

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)Cl)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)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C25H25ClN6O3/c1-28-21-20(23(34)29(2)25(28)35)32(16-17-7-4-3-5-8-17)24(27-21)31-13-11-30(12-14-31)22(33)18-9-6-10-19(26)15-18/h3-10,15H,11-14,16H2,1-2H3