8-(2-chloroethylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(2-chloroethylthio)-7-isoamyl-3-methyl-xanthine Formula: C13H19ClN4O2S MolecularWeight: 330.83356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H19ClN4O2S/c1-8(2)4-6-18-9-10(15-13(18)21-7-5-14)17(3)12(20)16-11(9)19/h8H,4-7H2,1-3H3,(H,16,19,20)