Basic information
- CAS
57464-43-4- Standard SMILES
CSc1ncnc2c1ncn2N=CC1OC(C)OCC1O- InChIKey
KAOUZKFPFHIOQG-UHFFFAOYSA-N- Molecular formula
- C12H15N5O3S
- Average molar mass
- 309.35 g/mol
- Monoisotopic mass
- 309.08956053
Names & identifiers
- Preferred name
- 2-Methyl-4-[(6-methylsulfanylpurin-9-yl)iminomethyl]-1,3-dioxan-5-ol
- IUPAC
- 2-methyl-4-[(6-methylsulfanylpurin-9-yl)iminomethyl]-1,3-dioxan-5-ol
Names & synonyms
57464-43-4DTXSID109729862-methyl-4-({[6-(methylsulfanyl)-9H-purin-9-yl]imino}methyl)-1,3-dioxan-5-ol
Database identifiers
- CAS
57464-43-4- PubChem CID
- 296398
- DTXSID
DTXSID10972986
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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