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Basic information
- CAS
5446-42-4- Standard SMILES
O=c1nc(SCc2ccccc2)c2[nH]cnc2[nH]1- InChIKey
XKLXGBRBFJZZOP-UHFFFAOYSA-N- Molecular formula
- C12H10N4OS
- Average molar mass
- 258.306 g/mol
- Monoisotopic mass
- 258.05753194
Names & identifiers
- Preferred name
- Purin-2-ol, 6-(benzylthio)-
- IUPAC
- 6-(Benzylsulfanyl)-3,7-dihydro-2H-purin-2-one
- English name
- 3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one
- Molecular formula
- C12H10N4OS
- Molecular weight
- 258.3
Names & synonyms
3,7-Dihydro-6-[(phenylmethyl)thio]-2H-purin-2-one2H-Purin-2-one, 1,3-dihydro-6-[(phenylmethyl)thio]-
Database identifiers
- CAS
5446-42-4- PubChem CID
- 95092
- DTXSID
DTXSID40202864- ChEMBL
CHEMBL359648- UNII
- 2UX24NXQ6F
- Nikkaji
- J51.171D
Properties
Physicochemical properties
- FDA UNII
- 2 UX24NXQ6F · 2UX24NXQ6F
Related reactions
0 records
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Compound notes
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