8-[(2S)-butan-2-yl]sulfanyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2S)-butan-2-yl]sulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-[(1S)-1-methylpropyl]sulfanyl-purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]thio]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(2S)-butan-2-yl]sulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 3,7-dimethyl-8-[[(1S)-1-methylpropyl]thio]xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CC[C@H](C)SC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C11H16N4O2S/c1-5-6(2)18-11-12-8-7(14(11)3)9(16)13-10(17)15(8)4/h6H,5H2,1-4H3,(H,13,16,17)/t6-/m0/s1