Bis(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)mercury
Basic information
- CAS
6937-66-2- Standard SMILES
Cn1c(=O)c2c(n[c]([Hg][c]3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2C)n(C)c1=O- InChIKey
WEVBMEJITOWWPX-UHFFFAOYSA-N- Molecular formula
- C16H18HgN8O4
- Average molar mass
- 586.96 g/mol
- Monoisotopic mass
- 588.115745
Names & identifiers
- Preferred name
- Bis(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)mercury
- IUPAC
- bis(1,3,7-trimethyl-2,6-dioxopurin-8-yl)mercury
- English name
- Bis(2,6-dioxo-1,2,3,6-tetrahydro-1,3,7-trimethyl-7H-purin-8-yl)mercury(II)
- Molecular weight
- 0
Names & synonyms
Mercury, bis(1,3,7-trimethyl-8-xanthinyl)-6937-66-2JW1EN13LGMNSC-39260Mercury, bis(1,2,3,6-tetrahydro-1,3,7-trimethyl-2,6-dioxopurin-8-yl)-DTXSID20219455Bis(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)mercuryRefChem:1079909DTXCID40141946Mercuric-8,8-dicaffeineBis(1,3,7-trimethyl-8-xanthinyl)mercuryNSC 39260
Show more names
Bis(2,6-dioxo-1,2,3,6-tetrahydro-1,3,7-trimethyl-7H-purin-8-yl)mercury(II)
BRN 0376910NSC39260UNII-JW1EN13LGM2-26-00-00350 (Beilstein Handbook Reference)bis(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)mercuryMercury,3,7-trimethyl-8-xanthinyl)-Bis(1,7-trimethyl-8-xanthinyl)mercuryMercury,2,3,6-tetrahydro-1,3,7-trimethyl-2,6-dioxopurin-8-yl)-
Database identifiers
- CAS
6937-66-2- PubChem CID
- 64126
- DTXSID
DTXSID20219455- UNII
- JW1EN13LGM
- Nikkaji
- J41.645B
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 720
Physicochemical properties
- FDA UNII
- 1 EN13LGM · JW1EN13LGM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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