Basic information
- Standard SMILES
CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cccc(N)n4)nc3s2)CC1- InChIKey
CYVUWPPSBPVUMM-UHFFFAOYSA-N- Molecular formula
- C21H27N7O3S2
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.1616801
Names & identifiers
- Preferred name
- 6-(4-Morpholino-6-((4-n-methylsulfonylpiperazin-1-yl)methyl)thieno[2,3-d]pyrimidin-2-yl)pyridin-2-amine
- IUPAC
- 6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
Names & synonyms
SCHEMBL1181446CYVUWPPSBPVUMM-UHFFFAOYSA-N6-(4-morpholino-6-((4-n-methylsulfonylpiperazin-1-yl)methyl)thieno[2,3-d]pyrimidin-2-yl)pyridin-2-amine
Database identifiers
- PubChem CID
- 58233993
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 755
Related reactions
3 records
Compound notes
Loading…