Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCNc2cc(=O)n(C)c(=O)n2C)cc1- InChIKey
CZDNHKLARMGEIG-UHFFFAOYSA-N- Molecular formula
- C15H19N3O5S
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 2-((1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)ethyl 4-methylbenzenesulfonate
- IUPAC
- 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]ethyl 4-methylbenzenesulfonate
Names & synonyms
130634-04-72-((1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)ethyl 4-methylbenzenesulfonate2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]ethyl 4-methylbenzenesulfonate2-(1,3-diMethyl-2,6-dioxo-1,2,3,6-tetrahydropyriMidin-4-ylaMino)ethyl 4-MethylbenzenesulfonateSCHEMBL9206011CZDNHKLARMGEIG-UHFFFAOYSA-NDB-190780F731961,3-dimethyl-6-[2-(p-toluenesulfonyloxy)-ethylamino]-2,4(1H,3H)-pyrimidinedione1,3-Dimethyl-6-[2-(p-toluenesulfonyloxy)ethylamino)-2,4(1h,3h)-pyrimidinedione2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]ethyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 10247487
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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