7-ethyl-1,3-dimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-ethyl-1,3-dimethyl-xanthine Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H16N4O2S/c1-5-7-19-11-13-9-8(16(11)6-2)10(17)15(4)12(18)14(9)3/h5H,1,6-7H2,2-4H3