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

Systemtic Name: 3-butyl-8-[(4-chlorophenyl)sulfanylmethyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(4-chlorophenyl)sulfanylmethyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(4-chlorophenyl)thio]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(4-chlorophenyl)sulfanylmethyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(4-chlorophenyl)thio]methyl]-7-methyl-xanthine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C17H19ClN4O2S/c1-3-4-9-22-15-14(16(23)20-17(22)24)21(2)13(19-15)10-25-12-7-5-11(18)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,20,23,24)