4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylthieno[2,3-d]pyrimidin-2-one
Basic information
- CAS
75860-82-1- Standard SMILES
Cc1csc2c1c(N)nc(=O)n2C1OC(CO)C(O)C1O- InChIKey
KLUUDHZZLGRCLD-UHFFFAOYSA-N- Molecular formula
- C12H15N3O5S
- Average molar mass
- 313.33 g/mol
- Monoisotopic mass
- 313.07324176
Names & identifiers
- Preferred name
- 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylthieno[2,3-d]pyrimidin-2-one
- IUPAC
- 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylthieno[2,3-d]pyrimidin-2-one
Names & synonyms
75860-82-1NSC1884874-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylthieno[2,3-d]pyrimidin-2-oneDTXSID60307128NSC-1884874-amino-5-methyl-1-pentofuranosylthieno[2,3-d]pyrimidin-2(1H)-one
Database identifiers
- CAS
75860-82-1- PubChem CID
- 302573
- DTXSID
DTXSID60307128
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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