7-ethyl-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-ethyl-3-methyl-xanthine Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O2S/c1-4-6-18-11-12-8-7(15(11)5-2)9(16)13-10(17)14(8)3/h4H,1,5-6H2,2-3H3,(H,13,16,17)