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

Systemtic Name: 1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione CAS Name: 8-(mercaptomethyl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione Traditional Name: 8-(mercaptomethyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C8H10N4O2S MolecularWeight: 226.2556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CS

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CS

InChI

InChI=1S/C8H10N4O2S/c1-11-6-5(9-4(3-15)10-6)7(13)12(2)8(11)14/h15H,3H2,1-2H3,(H,9,10)