7-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C20H24ClN5O2S MolecularWeight: 433.95486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN5O2S/c1-23-17-16(18(27)24(2)20(23)28)26(19(22-17)25-10-4-3-5-11-25)12-13-29-15-8-6-14(21)7-9-15/h6-9H,3-5,10-13H2,1-2H3