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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(4-phenyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-3-methyl-8-[(4-phenylpiperazino)methyl]xanthine Formula: C24H24Cl2N6O2 MolecularWeight: 499.39236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H24Cl2N6O2/c1-29-22-21(23(33)28-24(29)34)32(14-16-7-8-18(25)19(26)13-16)20(27-22)15-30-9-11-31(12-10-30)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,28,33,34)