7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[[2-oxo-2-(1-piperidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxo-2-piperidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN5O3S/c1-24-18-17(19(29)25(2)21(24)30)27(12-14-6-8-15(22)9-7-14)20(23-18)31-13-16(28)26-10-4-3-5-11-26/h6-9H,3-5,10-13H2,1-2H3