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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-phenyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-1,3-dimethyl-8-[(4-phenylpiperazino)methyl]xanthine Formula: C25H27ClN6O2 MolecularWeight: 478.97388

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)C4=CC=CC=C4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H27ClN6O2/c1-28-23-22(24(33)29(2)25(28)34)32(16-18-7-6-8-19(26)15-18)21(27-23)17-30-11-13-31(14-12-30)20-9-4-3-5-10-20/h3-10,15H,11-14,16-17H2,1-2H3