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

Systemtic Name: 8-(2-chloroethylsulfanyl)-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(2-chloroethylthio)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C14H21ClN4O3S MolecularWeight: 360.85954

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)SCCCl)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)SCCCl)N(C1=O)C)O

InChI

InChI=1S/C14H21ClN4O3S/c1-9(20)5-3-4-7-19-12(21)10-11(18(2)14(19)22)17-13(16-10)23-8-6-15/h9,20H,3-8H2,1-2H3,(H,16,17)