7-[(1S)-2,3-Dihydro-4-hydroxy-1H-inden-1-yl]-5,7-dihydro-5,5-dimethyl-2-(methylthio)-6H-pyrrolo[2,3-d]pyrimidin-6-one
Basic information
- CAS
1201364-19-3- Standard SMILES
CSc1ncc2c(n1)N([C@H]1CCc3c(O)cccc31)C(=O)C2(C)C- InChIKey
LONSASHYXAAVKC-ZDUSSCGKSA-N- Molecular formula
- C18H19N3O2S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.11979803
Names & identifiers
- Preferred name
- 7-[(1S)-2,3-Dihydro-4-hydroxy-1H-inden-1-yl]-5,7-dihydro-5,5-dimethyl-2-(methylthio)-6H-pyrrolo[2,3-d]pyrimidin-6-one
- IUPAC
- 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-6-one
Names & synonyms
DTXSID6011059301201364-19-37-[(1S)-2,3-Dihydro-4-hydroxy-1H-inden-1-yl]-5,7-dihydro-5,5-dimethyl-2-(methylthio)-6H-pyrrolo[2,3-d]pyrimidin-6-one
Database identifiers
- CAS
1201364-19-3- PubChem CID
- 165367162
- DTXSID
DTXSID601105930
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 514
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Compound notes
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