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

Systemtic Name: 1,3-dimethyl-7-(2-sulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-sulfanylethyl)purine-2,6-dione CAS Name: 7-(2-mercaptoethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-sulfanylethyl)purine-2,6-dione Traditional Name: 7-(2-mercaptoethyl)-1,3-dimethyl-xanthine Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N4O2S/c1-11-7-6(8(14)12(2)9(11)15)13(3-4-16)5-10-7/h5,16H,3-4H2,1-2H3