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

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(ethylthio)-3-methyl-xanthine Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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