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

Systemtic Name: 8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-3,7-dimethyl-xanthine Formula: C11H13ClN4O2S MolecularWeight: 300.76452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NC2=C(N1C)C(=O)NC(=O)N2C)Cl

Isomeric SMILES

C/C(=C/CSC1=NC2=C(N1C)C(=O)NC(=O)N2C)/Cl

InChI

InChI=1S/C11H13ClN4O2S/c1-6(12)4-5-19-11-13-8-7(15(11)2)9(17)14-10(18)16(8)3/h4H,5H2,1-3H3,(H,14,17,18)/b6-4-