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

Systemtic Name: 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(methylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(methylthio)ethyl]xanthine Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC

InChI

InChI=1S/C10H14N4O2S/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)4-5-17-3/h6H,4-5H2,1-3H3