Basic information
- CAS
16754-86-2- Standard SMILES
CSc1ncnc2c1ccn2[C@@H]1O[C@H](CO)C(O)[C@H]1O- InChIKey
ULAFTYMEZPGDOI-XHPIMKSCSA-N- Molecular formula
- C12H15N3O4S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.07832714
Overview
inhibits purine nucleotide metabolism
Names & identifiers
- Preferred name
- Nsc 105,826
- IUPAC
- (2R,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
Names & synonyms
NSC 10582616754-86-2NSC 105,8264-Methylthio-7-beta-D-ribofuranosylpyrrolo(2,3-d)pyrimidineNSC-105826RefChem:166924NSC-105,826(2R,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol(2R,4R,5R)-2-(hydroxymethyl)-5-(5-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-y
Database identifiers
- CAS
16754-86-2- PubChem CID
- 97199
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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