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

Systemtic Name: 8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazino]methyl]-1,3-dimethyl-7-phenethyl-xanthine Formula: C27H31ClN6O2 MolecularWeight: 507.02704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CCC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C27H31ClN6O2/c1-19-9-10-21(28)17-22(19)33-15-13-32(14-16-33)18-23-29-25-24(26(35)31(3)27(36)30(25)2)34(23)12-11-20-7-5-4-6-8-20/h4-10,17H,11-16,18H2,1-3H3