8-[(2R)-but-3-en-2-yl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2R)-but-3-en-2-yl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[(1R)-1-methylallyl]sulfanyl-purine-2,6-dione CAS Name: 8-[[(2R)-but-3-en-2-yl]thio]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2R)-but-3-en-2-yl]sulfanyl-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-[[(1R)-1-methylallyl]thio]xanthine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SC(C)C=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1S[C@H](C)C=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H24N4O2S/c1-5-7-8-9-10-20-12-13(17-16(20)23-11(3)6-2)19(4)15(22)18-14(12)21/h6,11H,2,5,7-10H2,1,3-4H3,(H,18,21,22)/t11-/m1/s1