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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-oxidanylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(2-hydroxypropylthio)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(2-hydroxypropylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C)O

Isomeric SMILES

CC(CSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C13H18N4O3S/c1-7(2)5-17-9-10(14-13(17)21-6-8(3)18)16(4)12(20)15-11(9)19/h8,18H,1,5-6H2,2-4H3,(H,15,19,20)