8-butylsulfanyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(butylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(butylthio)-3,7-dimethyl-xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C11H16N4O2S/c1-4-5-6-18-11-12-8-7(14(11)2)9(16)13-10(17)15(8)3/h4-6H2,1-3H3,(H,13,16,17)