8-(Furfuryl-thio)-4-morpholino-2-piperazino-pyrimido-[5,4-d]-pyrimidine
Basic information
- Standard SMILES
c1coc(CSc2ncnc3c(N4CCOCC4)nc(N4CCNCC4)nc23)c1- InChIKey
WTQKOYHASOPXBH-UHFFFAOYSA-N- Molecular formula
- C19H23N7O2S
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.16339418
Names & identifiers
- Preferred name
- 8-(Furfuryl-thio)-4-morpholino-2-piperazino-pyrimido-[5,4-d]-pyrimidine
- IUPAC
- 4-[8-(furan-2-ylmethylsulfanyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine
Names & synonyms
SCHEMBL10662527WTQKOYHASOPXBH-UHFFFAOYSA-N8-(Furfuryl-thio)-4-morpholino-2-piperazino-pyrimido-[5,4-d]-pyrimidine
Database identifiers
- PubChem CID
- 20150180
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
Related reactions
4 records
Compound notes
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