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

Systemtic Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(2-chloroethylthio)-3-methyl-7-octyl-xanthine Formula: C16H25ClN4O2S MolecularWeight: 372.9133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25ClN4O2S/c1-3-4-5-6-7-8-10-21-12-13(18-16(21)24-11-9-17)20(2)15(23)19-14(12)22/h3-11H2,1-2H3,(H,19,22,23)