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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CCSC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

InChI

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