Basic information
- CAS
73851-46-4- Standard SMILES
Nc1ncnc2c1c1c(SCc3ccc([N+](=O)[O-])cc3)ncnc1n2C1OC(CO)C(O)C1O- InChIKey
RRQPBBIUAQIQTM-UHFFFAOYSA-N- Molecular formula
- C20H19N7O6S
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.11175252
Names & identifiers
- Preferred name
- 2-[3-Amino-13-[(4-nitrophenyl)methylsulfanyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[3-amino-13-[(4-nitrophenyl)methylsulfanyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC26722473851-46-4DTXSID20313189NSC-2672245-{[(4-Nitrophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-pyrrolo[2,3-d:5,4-d']dipyrimidin-4-amine
Database identifiers
- CAS
73851-46-4- PubChem CID
- 320285
- DTXSID
DTXSID20313189
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 728
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…