Basic information
- Standard SMILES
CCOC(=O)c1ccc(NCc2cnc3nc(NC(C)=O)[nH]c(=O)c3n2)cc1- InChIKey
KKTNOXVVQIIOML-UHFFFAOYSA-N- Molecular formula
- C18H18N6O4
- Average molar mass
- 382.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(((2-acetamido-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzoate
- IUPAC
- ethyl 4-[(2-acetamido-4-oxo-3H-pteridin-6-yl)methylamino]benzoate
Names & synonyms
27345-61-5Ethyl 4-(((2-acetamido-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)benzoateEthyl 4-[[(2-Acetamido-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino]benzoateethyl N2 -acetylpteroateETHYL N2-ACETYLPTEROATEKKTNOXVVQIIOML-UHFFFAOYSA-NAT35869SY326606
Database identifiers
- PubChem CID
- 136354639
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 632
Related reactions
4 records
Compound notes
Loading…