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

Systemtic Name: 7-hexyl-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-hexyl-3-methyl-xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N4O2S/c1-4-6-7-8-9-19-11-12(16-15(19)22-10-5-2)18(3)14(21)17-13(11)20/h5H,2,4,6-10H2,1,3H3,(H,17,20,21)