(1,3-Dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury
Basic information
- CAS
5450-81-7- Standard SMILES
COC([CH2][Hg][n]1cnc2c1c(=O)n(C)c(=O)n2C)CN1C(=O)c2ccccc2S1(=O)=O- InChIKey
BFPLDFGXGURDMF-UHFFFAOYSA-M- Molecular formula
- C18H19HgN5O6S
- Average molar mass
- 634 g/mol
- Monoisotopic mass
- 635.076248
Names & identifiers
- Preferred name
- (1,3-Dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury
- IUPAC
- (1,3-dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury
Names & synonyms
NSC204105450-81-7DTXSID90328321NCI60_001713(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)[2-methoxy-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propyl]mercury1,3-dimethylpurine-2,6-dione; [2-methoxy-3-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)propyl]mercury
Database identifiers
- CAS
5450-81-7- PubChem CID
- 409344
- DTXSID
DTXSID90328321
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 866
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…