7-butyl-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H18N4O2S/c1-4-6-7-17-9-10(14-13(17)20-8-5-2)16(3)12(19)15-11(9)18/h5H,2,4,6-8H2,1,3H3,(H,15,18,19)