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Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nnc(SC)n(C)c1=O- InChIKey
MTUGRUISLNTSTF-UHFFFAOYSA-N- Molecular formula
- C14H15N5O6S2
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.04637556
Names & identifiers
- Preferred name
- 6-[3-(2-Methoxycarbonylphenylsulfonyl)-ureido]-4-methyl-3-methylthio-1,2,4-triazin-5-one
- IUPAC
- methyl 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-6-yl)carbamoylsulfamoyl]benzoate
Names & synonyms
SCHEMBL9664782MTUGRUISLNTSTF-UHFFFAOYSA-N6-[3-(2-methoxycarbonylphenylsulfonyl)-ureido]-4-methyl-3-methylthio-1,2,4-triazin-5-one
Database identifiers
- PubChem CID
- 19856563
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 788
Related reactions
4 records
Compound notes
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