Basic information
- Standard SMILES
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(Sc3ccccc3O)c2c(=O)n1-c1ccccc1- InChIKey
AHINZXAPARISBZ-HNNXBMFYSA-N- Molecular formula
- C25H20N8O2S
- Average molar mass
- 496.5 g/mol
Names & identifiers
- Preferred name
- (S)-4-Amino-6-((1-(5-((2-hydroxyphenyl)thio)-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile
- IUPAC
- 4-amino-6-[[(1S)-1-[5-(2-hydroxyphenyl)sulfanyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL15648509AHINZXAPARISBZ-HNNXBMFYSA-N(S)-4-Amino-6-((1-(5-((2-hydroxyphenyl)thio)-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 73776366
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 873
Related reactions
1 records
Compound notes
Loading…