8,9-Dihydro-7H,11H-[1,3]thiazino[2,3-b]pteridin-11-one
Basic information
- CAS
63012-76-0- Standard SMILES
O=c1c2nccnc2nc2n1CCCS2- InChIKey
YPQPERHBOAUQAG-UHFFFAOYSA-N- Molecular formula
- C9H8N4OS
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.04188206
Names & identifiers
- Preferred name
- 8,9-Dihydro-7H,11H-[1,3]thiazino[2,3-b]pteridin-11-one
- IUPAC
- 8,9-dihydro-7H-[1,3]thiazino[2,3-b]pteridin-11-one
Names & synonyms
63012-76-0NSC294423DTXSID203154068,9-Dihydro-7H,11H-[1,3]thiazino[2,3-b]pteridin-11-oneNSC-294423InChI=1/C9H8N4OS/c14-8-6-7(11-3-2-10-6)12-9-13(8)4-1-5-15-9/h2-3H,1,4-5H
Database identifiers
- CAS
63012-76-0- PubChem CID
- 325531
- DTXSID
DTXSID20315406- Nikkaji
- J1.649.038E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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