3-methyl-7-(2-methylpropyl)-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-isobutyl-3-methyl-xanthine Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h7H,5-6H2,1-4H3,(H,15,19,20)