4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate
Basic information
- CAS
57464-55-8- Standard SMILES
CSc1ncnc2c1ncn2N(CCCCOC(C)=O)C(C)=O- InChIKey
LIXVHNHBBSEUEG-UHFFFAOYSA-N- Molecular formula
- C14H19N5O3S
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.12086066
Names & identifiers
- Preferred name
- 4-[Acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate
- IUPAC
- 4-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetate
Names & synonyms
57464-55-84-[acetyl-(6-methylsulfanylpurin-9-yl)amino]butyl acetateNSC233908DTXSID40310877NSC-2339084-{N-[6-(Methylsulfanyl)-9H-purin-9-yl]acetamido}butyl acetate
Database identifiers
- CAS
57464-55-8- PubChem CID
- 314658
- DTXSID
DTXSID40310877
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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