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

Systemtic Name: 8-(2-chloroethylsulfanyl)-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-(2-chloroethylthio)-7-heptyl-3-methyl-xanthine Formula: C15H23ClN4O2S MolecularWeight: 358.88672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H23ClN4O2S/c1-3-4-5-6-7-9-20-11-12(17-15(20)23-10-8-16)19(2)14(22)18-13(11)21/h3-10H2,1-2H3,(H,18,21,22)