4-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-5-carboxamide
Basic information
- CAS
61140-19-0- Standard SMILES
CSc1nc(N)c2c(C(N)=O)cc(=O)n(C3OC(CO)C(O)C3O)c2n1- InChIKey
QKDNSXMSIPXSAZ-UHFFFAOYSA-N- Molecular formula
- C14H17N5O6S
- Average molar mass
- 383.38 g/mol
- Monoisotopic mass
- 383.08995445
Names & identifiers
- Preferred name
- 4-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-5-carboxamide
- IUPAC
- 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-5-carboxamide
Names & synonyms
61140-19-0NSC2692234-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-5-carboxamideDTXSID70313351NSC-2692234-Amino-2-(methylsulfanyl)-7-oxo-8-pentofuranosyl-7,8-dihydropyrido[2,3-d]pyrimidine-5-carboxamide
Database identifiers
- CAS
61140-19-0- PubChem CID
- 320723
- DTXSID
DTXSID70313351
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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