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

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-7-butyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-7-butyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-7-butyl-3-methylpurine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-7-butyl-3-methyl-xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC=CC)N(C(=O)NC2=O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-4-6-8-18-10-11(15-14(18)21-9-7-5-2)17(3)13(20)16-12(10)19/h5,7H,4,6,8-9H2,1-3H3,(H,16,19,20)/b7-5+