5,7-dimethyl-3-methylsulfanyl-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

Systemtic Name: 5,7-dimethyl-3-methylsulfanyl-pyrimido[4,5-e][1,2,4]triazine-6,8-dione Openeye Name: 5,7-dimethyl-3-methylsulfanyl-pyrimido[4,5-e][1,2,4]triazine-6,8-dione CAS Name: 5,7-dimethyl-3-(methylthio)pyrimido[4,5-e][1,2,4]triazine-6,8-dione IUPAC Name: 5,7-dimethyl-3-methylsulfanylpyrimido[4,5-e][1,2,4]triazine-6,8-dione Traditional Name: 5,7-dimethyl-3-(methylthio)pyrimido[4,5-e][1,2,4]triazine-6,8-quinone Formula: C8H9N5O2S MolecularWeight: 239.25436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N5O2S/c1-12-5-4(6(14)13(2)8(12)15)10-11-7(9-5)16-3/h1-3H3