1,3,7-trimethyl-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(propylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(propylthio)xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H16N4O2S/c1-5-6-18-10-12-8-7(13(10)2)9(16)15(4)11(17)14(8)3/h5-6H2,1-4H3