1,3,9-trimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-1,3,9-trimethyl-xanthine Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC=C

InChI

InChI=1S/C11H14N4O2S/c1-5-6-18-10-12-7-8(13(10)2)14(3)11(17)15(4)9(7)16/h5H,1,6H2,2-4H3