Basic information
- Standard SMILES
CC(=O)N1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOC[C@@H]4C)c3s2)CC1- InChIKey
AMXDBKGEOYUNJL-HNNXBMFYSA-N- Molecular formula
- C23H30N8O2S
- Average molar mass
- 482.6 g/mol
Names & identifiers
- Preferred name
- (s)-1-(4-((2-(2-Aminopyrimidin-5-yl)-4-(3-methylmorpholino)thieno[3,2-d]pyrimidin-6-yl)methyl)-1,4-diazepan-1-yl)ethanone
- IUPAC
- 1-[4-[[2-(2-aminopyrimidin-5-yl)-4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1,4-diazepan-1-yl]ethanone
Names & synonyms
SCHEMBL1181067AMXDBKGEOYUNJL-HNNXBMFYSA-N(s)-1-(4-((2-(2-aminopyrimidin-5-yl)-4-(3-methylmorpholino)thieno[3,2-d]pyrimidin-6-yl)methyl)-1,4-diazepan-1-yl)ethanone
Database identifiers
- PubChem CID
- 24948166
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 696
Related reactions
3 records
Compound notes
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