8-[(E)-but-2-enyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC=CC)N(C(=O)NC2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2S/c1-4-6-8-9-10-20-12-13(17-16(20)23-11-7-5-2)19(3)15(22)18-14(12)21/h5,7H,4,6,8-11H2,1-3H3,(H,18,21,22)/b7-5+