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

Systemtic Name: 8-[(E)-3-chloranylbut-2-enyl]sulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C15H19ClN4O2S MolecularWeight: 354.85496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SC/C=C(\C)/Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H19ClN4O2S/c1-9(2)8-20-11-12(17-14(20)23-7-6-10(3)16)18(4)15(22)19(5)13(11)21/h6H,1,7-8H2,2-5H3/b10-6+