8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-1,3-dimethyl-7-octyl-xanthine Formula: C27H39ClN6O2 MolecularWeight: 515.09056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C27H39ClN6O2/c1-5-6-7-8-9-10-13-34-23(29-25-24(34)26(35)31(4)27(36)30(25)3)19-32-14-16-33(17-15-32)22-18-21(28)12-11-20(22)2/h11-12,18H,5-10,13-17,19H2,1-4H3