2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine;hydrochloride
Basic information
- CAS
1049726-98-8- Standard SMILES
CSc1ncc2c(n1)-c1ccccc1OC2.Cl- InChIKey
MBLVVYXCOPARJJ-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2OS
- Average molar mass
- 266.75 g/mol
- Monoisotopic mass
- 266.0280618
Names & identifiers
- Preferred name
- 2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine;hydrochloride
- IUPAC
- 2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine;hydrochloride
Names & synonyms
NSC688117CHEMBL1970738NSC-688117
Database identifiers
- CAS
1049726-98-8- PubChem CID
- 390594
- ChEMBL
CHEMBL1970738
Properties
Computed structural properties
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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