7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-8-(3,5-dimethyl-1-piperidyl)-3-methyl-purine-2,6-dione CAS Name: 7-[3-[(4-chlorophenyl)thio]-2-methylpropyl]-8-(3,5-dimethyl-1-piperidinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methylpropyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[3-[(4-chlorophenyl)thio]-2-methyl-propyl]-8-(3,5-dimethylpiperidino)-3-methyl-xanthine Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C23H30ClN5O2S/c1-14-9-15(2)11-28(10-14)22-25-20-19(21(30)26-23(31)27(20)4)29(22)12-16(3)13-32-18-7-5-17(24)6-8-18/h5-8,14-16H,9-13H2,1-4H3,(H,26,30,31)