8-(4-Fluorobenzyl-thio)-2-(N-formyl-piperazino)-4-(1-oxido-thiomorpholino)-pyrimido-[5,4-d]-pyrimidine
Basic information
- Standard SMILES
O=CN1CCN(c2nc(N3CCS(=O)CC3)c3ncnc(SCc4ccc(F)cc4)c3n2)CC1- InChIKey
JYTMSZLXRJKWNR-UHFFFAOYSA-N- Molecular formula
- C22H24FN7O2S2
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 8-(4-Fluorobenzyl-thio)-2-(N-formyl-piperazino)-4-(1-oxido-thiomorpholino)-pyrimido-[5,4-d]-pyrimidine
- IUPAC
- 4-[8-[(4-fluorophenyl)methylsulfanyl]-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde
Names & synonyms
SCHEMBL10661696JYTMSZLXRJKWNR-UHFFFAOYSA-N8-(4-Fluorobenzyl-thio)-2-(N-formyl-piperazino)-4-(1-oxido-thiomorpholino)-pyrimido-[5,4-d]-pyrimidine
Database identifiers
- PubChem CID
- 20150211
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
4 records
Compound notes
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