1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione CAS Name: 8-(1-mercaptoethyl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(1-sulfanylethyl)-7H-purine-2,6-dione Traditional Name: 8-(1-mercaptoethyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C(=O)N(C(=O)N2C)C)S

Isomeric SMILES

CC(C1=NC2=C(N1)C(=O)N(C(=O)N2C)C)S

InChI

InChI=1S/C9H12N4O2S/c1-4(16)6-10-5-7(11-6)12(2)9(15)13(3)8(5)14/h4,16H,1-3H3,(H,10,11)