2-Amino-4-(2-chlorophenyl)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione
Basic information
- CAS
898131-79-8- Standard SMILES
Nc1nc2c(s1)c(=O)[nH]c(=O)n2-c1ccccc1Cl- InChIKey
SSJXLXPGFBQTQN-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4O2S
- Average molar mass
- 294.72 g/mol
- Monoisotopic mass
- 293.9978243
Names & identifiers
- Preferred name
- 2-Amino-4-(2-chlorophenyl)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione
- IUPAC
- 2-amino-4-(2-chlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
Names & synonyms
898131-79-82-Amino-4-(2-chlorophenyl)thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione2-Amino-4-(2-chlorophenyl)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dioneRefChem:2554792-amino-4-(2-chlorophenyl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dioneSSJXLXPGFBQTQN-UHFFFAOYSA-NDTXSID901159712STK7922122-amino-4-(2-chlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dioneAKOS000319301CCG-124599Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 2-amino-4-(2-chlorophenyl)-
Database identifiers
- CAS
898131-79-8- PubChem CID
- 2997178
- DTXSID
DTXSID901159712
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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