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

Systemtic Name: 1,3-dimethyl-8-(oxiran-2-ylmethylsulfanyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(oxiran-2-ylmethylsulfanyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-oxiranylmethylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(oxiran-2-ylmethylsulfanyl)-7H-purine-2,6-dione Traditional Name: 8-(glycidylthio)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C10H12N4O3S MolecularWeight: 268.29228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3CO3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3CO3

InChI

InChI=1S/C10H12N4O3S/c1-13-7-6(8(15)14(2)10(13)16)11-9(12-7)18-4-5-3-17-5/h5H,3-4H2,1-2H3,(H,11,12)