8-(2-chloroethylsulfanyl)-7-(ethoxymethyl)-3-methyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-(2-chloroethylsulfanyl)-7-(ethoxymethyl)-3-methyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 8-(2-chloroethylthio)-7-(ethoxymethyl)-1-(5-hydroxyhexyl)-3-methyl-xanthine Formula: C17H27ClN4O4S MolecularWeight: 418.93868

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C2=C(N=C1SCCCl)N(C(=O)N(C2=O)CCCCC(C)O)C

Isomeric SMILES

CCOCN1C2=C(N=C1SCCCl)N(C(=O)N(C2=O)CCCCC(C)O)C

InChI

InChI=1S/C17H27ClN4O4S/c1-4-26-11-22-13-14(19-16(22)27-10-8-18)20(3)17(25)21(15(13)24)9-6-5-7-12(2)23/h12,23H,4-11H2,1-3H3