Basic information
- CAS
63044-81-5- Standard SMILES
Cc1nc2nc3n(c(=O)c2nc1C)CCCS3- InChIKey
BYMPVPOUUKOGGB-UHFFFAOYSA-N- Molecular formula
- C11H12N4OS
- Average molar mass
- 248.31 g/mol
- Monoisotopic mass
- 248.07318219
Names & identifiers
- Preferred name
- 2,3-Dimethyl-8,9-dihydro-7H,11H-[1,3]thiazino[2,3-b]pteridin-11-one
- IUPAC
- 2,3-dimethyl-8,9-dihydro-7H-[1,3]thiazino[2,3-b]pteridin-11-one
Names & synonyms
NSC29442563044-81-52,3-Dimethyl-8,9-dihydro-7H,11H-[1,3]thiazino[2,3-b]pteridin-11-one2,3-dimethyl-8,9-dihydro-7H-[1,3]thiazino[2,3-b]pteridin-11-oneDTXSID80315407NSC-294425
Database identifiers
- CAS
63044-81-5- PubChem CID
- 325533
- DTXSID
DTXSID80315407
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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