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

Systemtic Name: 8-[(2S)-butan-2-yl]sulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-[(1S)-1-methylpropyl]sulfanyl-purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]thio]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2S)-butan-2-yl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-[[(1S)-1-methylpropyl]thio]xanthine Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CC[C@H](C)SC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H20N4O3S/c1-5-8(2)21-13-14-10-9(17(13)6-7-20-4)11(18)15-12(19)16(10)3/h8H,5-7H2,1-4H3,(H,15,18,19)/t8-/m0/s1