Basic information
- CAS
36855-75-1- Standard SMILES
Cc1cc(C)c(C)c(C(=O)Nc2ncnc3nc[nH]c23)c1C- InChIKey
BMJQDTHMGPBYIP-UHFFFAOYSA-N- Molecular formula
- C16H17N5O
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.14331018
Names & identifiers
- Preferred name
- 2,3,5,6-Tetramethyl-N-(9H-purin-6-yl)benzene-1-carboximidic acid
- IUPAC
- 2,3,5,6-tetramethyl-N-(7H-purin-6-yl)benzamide
Names & synonyms
DTXSID2095805936855-75-12,3,5,6-Tetramethyl-N-(9H-purin-6-yl)benzene-1-carboximidic acidRefChem:1059232DTXCID7013859772,3,5,6-tetramethyl-n-(7h-purin-6-yl)benzamideBRN 1149331N-7H-Purin-6-yl-2,3,5,6-tetramethylbenzamideN-(2,3,5,6-Tetramethylbenzoyl)adenineBenzamide, N-7H-purin-6-yl-2,3,5,6-tetramethyl-
Database identifiers
- CAS
36855-75-1- PubChem CID
- 215955
- DTXSID
DTXSID20958059
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…