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

Systemtic Name: 1,3-dimethyl-8-prop-2-enylsulfanyl-7-propyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(prop-2-enylthio)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-prop-2-enylsulfanyl-7-propylpurine-2,6-dione Traditional Name: 8-(allylthio)-1,3-dimethyl-7-propyl-xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H18N4O2S/c1-5-7-17-9-10(14-12(17)20-8-6-2)15(3)13(19)16(4)11(9)18/h6H,2,5,7-8H2,1,3-4H3