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

Systemtic Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-8-(3,5-dimethyl-1-piperidyl)-3-methyl-purine-2,6-dione CAS Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-8-(3,5-dimethyl-1-piperidinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-8-(3,5-dimethylpiperidino)-3-methyl-xanthine Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C21H26ClN5O2S/c1-13-10-14(2)12-26(11-13)20-23-18-17(19(28)24-21(29)25(18)3)27(20)8-9-30-16-6-4-15(22)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,24,28,29)