3-butyl-8-[(4-chlorophenyl)methylsulfanylmethyl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(4-chlorophenyl)methylsulfanylmethyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(4-chlorophenyl)methylsulfanylmethyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(4-chlorophenyl)methylthio]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4-chlorophenyl)methylsulfanylmethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(4-chlorobenzyl)thio]methyl]-7-ethyl-xanthine Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSCC3=CC=C(C=C3)Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSCC3=CC=C(C=C3)Cl)CC

InChI

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