8-(3-chloranylbut-2-enylsulfanyl)-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-(3-chloranylbut-2-enylsulfanyl)-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-(3-chlorobut-2-enylsulfanyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(3-chlorobut-2-enylthio)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-(3-chlorobut-2-enylsulfanyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(3-chlorobut-2-enylthio)-3-methyl-7-propyl-xanthine Formula: C13H17ClN4O2S MolecularWeight: 328.81768

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H17ClN4O2S/c1-4-6-18-9-10(17(3)12(20)16-11(9)19)15-13(18)21-7-5-8(2)14/h5H,4,6-7H2,1-3H3,(H,16,19,20)