1,3-dimethyl-7-(2-methylprop-2-enyl)-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H18N4O2S/c1-6-7-21-13-15-11-10(18(13)8-9(2)3)12(19)17(5)14(20)16(11)4/h6H,1-2,7-8H2,3-5H3