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

Systemtic Name: 8-[(2R)-butan-2-yl]sulfanyl-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-[(1R)-1-methylpropyl]sulfanyl-purine-2,6-dione CAS Name: 8-[[(2R)-butan-2-yl]thio]-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2R)-butan-2-yl]sulfanyl-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-[[(1R)-1-methylpropyl]thio]xanthine Formula: C22H38N4O2S MolecularWeight: 422.62772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1S[C@H](C)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H38N4O2S/c1-5-7-8-9-10-11-12-13-14-15-16-26-18-19(23-22(26)29-17(3)6-2)25(4)21(28)24-20(18)27/h17H,5-16H2,1-4H3,(H,24,27,28)/t17-/m1/s1