8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Basic information
- CAS
6466-33-7- Standard SMILES
Cn1c(=S)c2[nH]c(CCc3nc4c([nH]3)c(=S)n(C)c(=O)n4C)nc2n(C)c1=O- InChIKey
UCENULYFNJGNFP-UHFFFAOYSA-N- Molecular formula
- C16H18N8O2S2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.09941419
Names & identifiers
- Preferred name
- 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
- IUPAC
- 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Names & synonyms
NSC959176466-33-7DTXSID10402016NSC-959178,8'-(Ethane-1,2-diyl)bis(1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one)
Database identifiers
- CAS
6466-33-7- PubChem CID
- 4331328
- DTXSID
DTXSID10402016
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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