Basic information
- CAS
56223-56-4- Standard SMILES
O=C1CSc2[nH]c(=O)[nH]c(=O)c2N1- InChIKey
VEUPLHOXUKHOKG-UHFFFAOYSA-N- Molecular formula
- C6H5N3O3S
- Average molar mass
- 199.19 g/mol
- Monoisotopic mass
- 199.0051622
Names & identifiers
- Preferred name
- 2H-Pyrimido(4,5-b)(1,4)thiazine-2,4,6(3H,7H)-trione, 1,5-dihydro-
- IUPAC
- 1,5-dihydropyrimido[4,5-b][1,4]thiazine-2,4,6-trione
Names & synonyms
BRN 05326152H-Pyrimido(4,5-b)(1,4)thiazine-2,4,6(3H,7H)-trione, 1,5-dihydro-56223-56-4DTXSID102047791,5-Dihydro-2H-pyrimido(4,5-b)(1,4)thiazine-2,4,6(3H,7H)-trione1,5-dihydro-2H-pyrimido[4,5-b][1,4]thiazine-2,4,6(3H,7H)-trioneRefChem:269134DTXCID90127270
Database identifiers
- CAS
56223-56-4- PubChem CID
- 3043858
- DTXSID
DTXSID10204779
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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