Basic information
- CAS
36707-04-7- Standard SMILES
CSc1nc(N)c2c(=O)c(C(N)=O)cn(C3OC(CO)C(O)C3O)c2n1- InChIKey
XUSALNXBQOJHFT-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-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
- IUPAC
- 4-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
Names & synonyms
36707-04-7NSC1772244-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamideDTXSID00306514NSC-1772244-Amino-2-(methylsulfanyl)-5-oxo-8-pentofuranosyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
Database identifiers
- CAS
36707-04-7- PubChem CID
- 301082
- DTXSID
DTXSID00306514
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- 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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