Basic information
- CAS
60663-80-1- Standard SMILES
COCCn1c(=O)[nH]c(=O)c2c(Nc3ccccc3)snc21- InChIKey
PKVJSTQGCFJWMX-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3S
- Average molar mass
- 318.35 g/mol
- Monoisotopic mass
- 318.07866149
Names & identifiers
- Preferred name
- 3-Anilino-7-(2-methoxyethyl)-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
- IUPAC
- 3-anilino-7-(2-methoxyethyl)-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione
Names & synonyms
NSC28662060663-80-1DTXSID80314632NSC-286620DS-0016343-Anilino-7-(2-methoxyethyl)[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dioneISOTHIAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE,7-(2-METHOXYETHYL)-3-(PHENYLAMINO)-
Database identifiers
- CAS
60663-80-1- PubChem CID
- 323802
- DTXSID
DTXSID80314632
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…