3-methyl-7-(2-methylprop-2-enyl)-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(2-methylallylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-methylprop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(2-methylallylthio)xanthine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-8(2)6-18-10-11(15-14(18)21-7-9(3)4)17(5)13(20)16-12(10)19/h1,3,6-7H2,2,4-5H3,(H,16,19,20)