Basic information
- Standard SMILES
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(N4CCS(=O)(=O)CC4)C3)n(C)c2n1- InChIKey
DXSVGHLXVNLCQT-UHFFFAOYSA-N- Molecular formula
- C26H33N9O3S
- Average molar mass
- 551.7 g/mol
Names & identifiers
- Preferred name
- 4-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-((3-(1,1-dioxo-thiomorpholino)azetidin-1-yl)methyl)-9H-purin-6-yl)morpholine
- IUPAC
- 4-[1-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-3-yl]-1,4-thiazinane 1,1-dioxide
Names & synonyms
SCHEMBL2674583DXSVGHLXVNLCQT-UHFFFAOYSA-N4-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9-methyl-8-((3-(1,1-dioxo-thiomorpholino)azetidin-1-yl)methyl)-9H-purin-6-yl)morpholine
Database identifiers
- PubChem CID
- 59605846
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 958
Related reactions
2 records
Compound notes
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