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

Systemtic Name: 7-[(E)-but-2-enyl]-8-[(E)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-8-[[(E)-3-chlorobut-2-enyl]thio]-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-8-[[(E)-3-chlorobut-2-enyl]thio]-3-methyl-xanthine Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SC/C=C(\C)/Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H17ClN4O2S/c1-4-5-7-19-10-11(18(3)13(21)17-12(10)20)16-14(19)22-8-6-9(2)15/h4-6H,7-8H2,1-3H3,(H,17,20,21)/b5-4+,9-6+