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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-[[(Z)-3-chlorobut-2-enyl]thio]-3-methylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-[[(Z)-3-chlorobut-2-enyl]thio]-3-methyl-xanthine Formula: C14H16Cl2N4O2S MolecularWeight: 375.27344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Cl2N4O2S/c1-8(15)4-6-20-10-11(19(3)13(22)18-12(10)21)17-14(20)23-7-5-9(2)16/h4-5H,6-7H2,1-3H3,(H,18,21,22)/b8-4+,9-5-