8-butylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-(butylthio)-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-(butylthio)-7-hexyl-3-methyl-xanthine Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H26N4O2S/c1-4-6-8-9-10-20-12-13(17-16(20)23-11-7-5-2)19(3)15(22)18-14(12)21/h4-11H2,1-3H3,(H,18,21,22)