8-[(E)-3-chloranylbut-2-enyl]sulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(E)-3-chloranylbut-2-enyl]sulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(E)-3-chlorobut-2-enyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[[(E)-3-chlorobut-2-enyl]thio]-1,3-dimethyl-xanthine Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C)Cl

Isomeric SMILES

C/C(=C\CSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C)/Cl

InChI

InChI=1S/C14H17ClN4O2S/c1-5-7-19-10-11(16-13(19)22-8-6-9(2)15)17(3)14(21)18(4)12(10)20/h5-6H,1,7-8H2,2-4H3/b9-6+