Basic information
- CAS
77903-13-0- Standard SMILES
Nc1nc2c(c(=O)[nH]1)N=C(c1ccc(Cl)cc1)CS2- InChIKey
FSNDAEJFFZVMJX-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4OS
- Average molar mass
- 292.74 g/mol
- Monoisotopic mass
- 292.0185598
Names & identifiers
- Preferred name
- 2-Amino-6-(4-chlorophenyl)-3,7-dihydro-4h-pyrimido[4,5-b][1,4]thiazin-4-one
- IUPAC
- 2-amino-6-(4-chlorophenyl)-3,7-dihydropyrimido[4,5-b][1,4]thiazin-4-one
Names & synonyms
77903-13-02-amino-6-(4-chlorophenyl)-3,7-dihydro-4h-pyrimido[4,5-b][1,4]thiazin-4-oneNSC133721DTXSID10299928NSC-133721
Database identifiers
- CAS
77903-13-0- PubChem CID
- 281162
- DTXSID
DTXSID10299928
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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