ethyl (1E)-N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
Basic information
- CAS
7154-41-8- Standard SMILES
CCO/C(C)=N/C(=O)Nn1c(C)nc2c(OC)ncnc21- InChIKey
SRLUPKXFRWNAFG-LZYBPNLTSA-N- Molecular formula
- C12H16N6O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.12838839
Names & identifiers
- Preferred name
- ethyl (1E)-N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
- IUPAC
- ethyl (1E)-N-[(6-methoxy-8-methylpurin-9-yl)carbamoyl]ethanimidate
Names & synonyms
NSC735247154-41-8DTXSID60430167NSC-73524Ethyl (1E)-N-[(6-methoxy-8-methyl-9H-purin-9-yl)carbamoyl]ethanimidate
Database identifiers
- CAS
7154-41-8- PubChem CID
- 9561785
- DTXSID
DTXSID60430167
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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