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

Systemtic Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(2-chloroethylthio)-3-methyl-7-nonyl-xanthine Formula: C17H27ClN4O2S MolecularWeight: 386.93988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27ClN4O2S/c1-3-4-5-6-7-8-9-11-22-13-14(19-17(22)25-12-10-18)21(2)16(24)20-15(13)23/h3-12H2,1-2H3,(H,20,23,24)