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

Systemtic Name: 8-[(E)-3-chloranylbut-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C13H17ClN4O3S MolecularWeight: 344.81708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C)Cl

Isomeric SMILES

C/C(=C\CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C)/Cl

InChI

InChI=1S/C13H17ClN4O3S/c1-8(14)4-7-22-13-15-10-9(18(13)5-6-21-3)11(19)16-12(20)17(10)2/h4H,5-7H2,1-3H3,(H,16,19,20)/b8-4+