Basic information
- Standard SMILES
CCOC(=O)c1ccc(N=Nc2c(N)nc(N)nc2NCCCN(CC)CCCl)cc1- InChIKey
IELXYEIJUKJCGE-UHFFFAOYSA-N- Molecular formula
- C20H29ClN8O2
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.2101999
Names & identifiers
- Preferred name
- Ethyl 4-[[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate
- IUPAC
- ethyl 4-[[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate
Names & synonyms
DTXSID101384169ethyl 4-[[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate
Database identifiers
- PubChem CID
- 29663
- DTXSID
DTXSID101384169
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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