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

Systemtic Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(2-hydroxyethylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(2-hydroxyethylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H16N4O3S/c1-7(2)6-16-8-9(13-12(16)20-5-4-17)15(3)11(19)14-10(8)18/h17H,1,4-6H2,2-3H3,(H,14,18,19)