1,3,9-trimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-1,3,9-trimethyl-xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H16N4O2S/c1-6(2)18-10-12-7-8(13(10)3)14(4)11(17)15(5)9(7)16/h6H,1-5H3