Basic information
- CAS
362489-73-4- Standard SMILES
Cn1c(=O)c2c(nc(Cl)n2CC(=O)NC(C)(C)C)n(C)c1=O- InChIKey
LWIWJFVNTLQPKW-UHFFFAOYSA-N- Molecular formula
- C13H18ClN5O3
- Average molar mass
- 327.77 g/mol
- Monoisotopic mass
- 327.1098171
Names & identifiers
- Preferred name
- 8-Chloro-N-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide
- IUPAC
- N-tert-butyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Names & synonyms
362489-73-48-Chloro-N-(1,1-dimethylethyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamideOprea1_419143DTXSID401117898AKOS008331986AN-989/14834072SR-01000461893SR-01000461893-1N-(tert-butyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamideN-tert-Butyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Database identifiers
- CAS
362489-73-4- PubChem CID
- 3693464
- DTXSID
DTXSID401117898
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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