8-ethylsulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-ethylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(ethylthio)-1,3-dimethyl-xanthine Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

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