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

Systemtic Name: 3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione Openeye Name: 3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione CAS Name: 3-(methylthio)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione IUPAC Name: 3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione Traditional Name: 3-(methylthio)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-quinone Formula: C6H5N5O2S MolecularWeight: 211.2012

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)NC(=O)N2)N=N1

Isomeric SMILES

CSC1=NC2=C(C(=O)NC(=O)N2)N=N1

InChI

InChI=1S/C6H5N5O2S/c1-14-6-8-3-2(10-11-6)4(12)9-5(13)7-3/h1H3,(H2,7,8,9,11,12,13)