Basic information
- Standard SMILES
O=S1CCc2nc(N3CCN(c4ccc(Cl)cc4)CC3)nc(N3C[C@H](O)C[C@H]3CO)c21- InChIKey
PTKUMGPWDKQBAN-FHHHLIFNSA-N- Molecular formula
- C21H26ClN5O3S
- Average molar mass
- 464 g/mol
Names & identifiers
- Preferred name
- (3R,5S)-1-{2-[4-(4-chloro-phenyl)-piperazin-1-yl]-5-oxo-6,7-dihydro-5H-5lambda4-thieno[3,2-d]pyrimidin-4-yl}-5-hydroxymethyl-pyrrolidin-3-ol
- IUPAC
- (3R,5S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-5-(hydroxymethyl)pyrrolidin-3-ol
Names & synonyms
SCHEMBL589014PTKUMGPWDKQBAN-FHHHLIFNSA-N(3R,5S)-1-{2-[4-(4-chloro-phenyl)-piperazin-1-yl]-5-oxo-6,7-dihydro-5H-5lambda4-thieno[3,2-d]pyrimidin-4-yl}-5-hydroxymethyl-pyrrolidin-3-ol
Database identifiers
- PubChem CID
- 59708409
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 647
Related reactions
3 records
Compound notes
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