8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-7-isoamyl-1,3-dimethyl-xanthine Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H23ClN4O2S/c1-12(2)9-10-24-15-16(22(3)19(26)23(4)17(15)25)21-18(24)27-11-13-5-7-14(20)8-6-13/h5-8,12H,9-11H2,1-4H3