Basic information
- Standard SMILES
CCOP(=O)(COC(COCc1ccccc1)CONc1nc(NC=O)nc(Cl)c1NC=O)OCC- InChIKey
HPESZDLLWUWEQF-UHFFFAOYSA-N- Molecular formula
- C21H29ClN5O8P
- Average molar mass
- 545.9 g/mol
Names & identifiers
- Preferred name
- 6-[3-Benzyloxy-2-(diethoxyphosphorylmethoxy)propoxyamino]-4-chloro-2,5-diformamidopyrimidine
- IUPAC
- N-[4-chloro-6-[[2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropoxy]amino]-2-formamidopyrimidin-5-yl]formamide
Names & synonyms
SCHEMBL9417151HPESZDLLWUWEQF-UHFFFAOYSA-N6-[3-benzyloxy-2-(diethoxyphosphorylmethoxy)propoxyamino]-4-chloro-2,5-diformamidopyrimidine
Database identifiers
- PubChem CID
- 19795203
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 668
Related reactions
1 records
Compound notes
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