Basic information
- Standard SMILES
CCN(CC)CCNC(=O)c1ccc(NC(=O)CCn2cnc3c(=O)[nH]cnc32)cc1.Cl- InChIKey
IPVGXUREXBKDHA-UHFFFAOYSA-N- Molecular formula
- C21H28ClN7O3
- Average molar mass
- 461.9 g/mol
- Monoisotopic mass
- 461.1942155
Names & identifiers
- Preferred name
- 4-[[3-(1,6-dihydro-6-oxo-9H-purin-9-yl)-1-oxopropyl]amino]-N-[2-(diethylamino)ethyl]benzamide monohydrochloride
- IUPAC
- N-[2-(diethylamino)ethyl]-4-[3-(6-oxo-1H-purin-9-yl)propanoylamino]benzamide;hydrochloride
Names & synonyms
SCHEMBL7438455IPVGXUREXBKDHA-UHFFFAOYSA-N4-[[3-(1,6-dihydro-6 -oxo-9H-purin-9-yl)-1-oxopropyl]amino]-N-[2-(diethylamino)ethyl]benzamide monohydrochloride
Database identifiers
- PubChem CID
- 136403362
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Related reactions
1 records
Compound notes
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