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

Systemtic Name: 3,7-dimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-3,7-dimethyl-xanthine Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H12N4O2S/c1-4-5-17-10-11-7-6(13(10)2)8(15)12-9(16)14(7)3/h4H,1,5H2,2-3H3,(H,12,15,16)