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

Systemtic Name: 8-[(2R)-butan-2-yl]sulfanyl-7-butyl-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[(1R)-1-methylpropyl]sulfanyl-purine-2,6-dione CAS Name: 8-[[(2R)-butan-2-yl]thio]-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2R)-butan-2-yl]sulfanyl-7-butyl-3-methylpurine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-[[(1R)-1-methylpropyl]thio]xanthine Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1S[C@H](C)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O2S/c1-5-7-8-18-10-11(15-14(18)21-9(3)6-2)17(4)13(20)16-12(10)19/h9H,5-8H2,1-4H3,(H,16,19,20)/t9-/m1/s1