Basic information
- Standard SMILES
CCn1nnc(Cn2c(=O)n(C3CCNCC3)c(=O)c3sc(-c4ccccc4F)cc32)n1.Cl- InChIKey
KWXQTTCSSUZGCH-UHFFFAOYSA-N- Molecular formula
- C21H23ClFN7O2S
- Average molar mass
- 492 g/mol
Names & identifiers
- Preferred name
- 1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(2-fluorophenyl)-3-(piperidin-4-yl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione hydrochloride
- IUPAC
- 1-[(2-ethyltetrazol-5-yl)methyl]-6-(2-fluorophenyl)-3-piperidin-4-ylthieno[3,2-d]pyrimidine-2,4-dione;hydrochloride
Names & synonyms
SCHEMBL2044178KWXQTTCSSUZGCH-UHFFFAOYSA-N1-[(2-ethyl-2H-tetrazol-5-yl)methyl]-6-(2-fluorophenyl)-3-(piperidin-4-yl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione hydrochloride
Database identifiers
- PubChem CID
- 67258797
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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