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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H23ClN4O2S/c1-4-5-8-11-24-15-16(22(2)19(26)23(3)17(15)25)21-18(24)27-12-13-9-6-7-10-14(13)20/h6-7,9-10H,4-5,8,11-12H2,1-3H3