Basic information
- Standard SMILES
c1ccc(CSc2ncnc3c(N4CCSCC4)nc(N4CCNCC4)nc23)cc1- InChIKey
OBQRUWNDUHREDC-UHFFFAOYSA-N- Molecular formula
- C21H25N7S2
- Average molar mass
- 439.6 g/mol
Names & identifiers
- Preferred name
- 8-Benzylthio-2-piperazino-4-thiomorpholino-pyrimido-[5,4-d]-pyrimidine
- IUPAC
- 4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)thiomorpholine
Names & synonyms
SCHEMBL10763695OBQRUWNDUHREDC-UHFFFAOYSA-N8-Benzylthio-2-piperazino-4-thiomorpholino-pyrimido-[5,4-d]-pyrimidine
Database identifiers
- PubChem CID
- 20187357
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 523
Related reactions
3 records
Compound notes
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