3,7-dimethyl-1-(3-methylsulfanylpropyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(3-methylsulfanylpropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(3-methylsulfanylpropyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(methylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-methylsulfanylpropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(methylthio)propyl]xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC

InChI

InChI=1S/C11H16N4O2S/c1-13-7-12-9-8(13)10(16)15(5-4-6-18-3)11(17)14(9)2/h7H,4-6H2,1-3H3