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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC=CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

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/h4,6H,5,7-9H2,1-3H3,(H,16,19,20)/b6-4+