8-Ethyl-7-hydroxy-9-methyl-7,11-dihydro-[1,3]diazepino[2,1-f]purin-10-one
Basic information
- CAS
41473-43-2- Standard SMILES
CCC1=C(C)C(=O)Nc2c3ncnc-3ncn2C1O- InChIKey
VQOPQMGJUYHOBP-UHFFFAOYSA-N- Molecular formula
- C12H13N5O2
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.10692467
Names & identifiers
- Preferred name
- 8-Ethyl-7-hydroxy-9-methyl-7,11-dihydro-[1,3]diazepino[2,1-f]purin-10-one
- IUPAC
- 8-ethyl-7-hydroxy-9-methyl-7,11-dihydro-[1,3]diazepino[2,1-f]purin-10-one
Names & synonyms
NSC14221841473-43-2DTXSID20419276NSC-1422188-Ethyl-7-hydroxy-9-methyl-1H-[1,3]diazepino[2,1-i]purin-10(7H)-one
Database identifiers
- CAS
41473-43-2- PubChem CID
- 285357
- DTXSID
DTXSID20419276
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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