Basic information
- Standard SMILES
CN(C)Cc1cc2c(=O)[nH]c(SCc3ccc(C(=O)c4ccc(F)cc4)cc3)nc2[nH]1- InChIKey
VEVZJLMOCXSKBH-UHFFFAOYSA-N- Molecular formula
- C23H21FN4O2S
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 6-Dimethylaminomethyl-2-[4-(4-fluorobenzoyl) benzyl]thio-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 6-[(dimethylamino)methyl]-2-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Names & synonyms
SCHEMBL7017971VEVZJLMOCXSKBH-UHFFFAOYSA-N6-Dimethylaminomethyl-2-[4-(4-fluorobenzoyl) benzyl]thio-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 136351302
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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