2-Amino-9-{[(2-hydroxyethyl)sulfanyl]methyl}-3,9-dihydro-6H-purin-6-one
Basic information
- CAS
81475-41-4- Standard SMILES
Nc1nc2c(ncn2CSCCO)c(=O)[nH]1- InChIKey
VNXPAWVBZPSHAD-UHFFFAOYSA-N- Molecular formula
- C8H11N5O2S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.06334578
Names & identifiers
- Preferred name
- 2-Amino-9-{[(2-hydroxyethyl)sulfanyl]methyl}-3,9-dihydro-6H-purin-6-one
- IUPAC
- 2-amino-9-(2-hydroxyethylsulfanylmethyl)-1H-purin-6-one
Names & synonyms
81475-41-42-Amino-9-(((2-hydroxyethyl)thio)methyl)-1H-purin-6(9H)-oneDTXSID408401449-{2-hydroxyethylthiomethyl)guanine2-Amino-9-{[(2-hydroxyethyl)sulfanyl]methyl}-3,9-dihydro-6H-purin-6-one
Database identifiers
- CAS
81475-41-4- PubChem CID
- 136229031
- DTXSID
DTXSID40840144
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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