Basic information
- CAS
100565-58-0- Standard SMILES
Cn1[nH]c2c(=S)nc[nH]c2c1=O- InChIKey
URMCJWILMOSHLQ-UHFFFAOYSA-N- Molecular formula
- C6H6N4OS
- Average molar mass
- 182.21 g/mol
- Monoisotopic mass
- 182.026232
Names & identifiers
- Preferred name
- 7H-Pyrazolo[4,3-d]pyrimidine-7-thione, 2,4-dihydro-3-hydroxy-2-methyl-
- IUPAC
- 2-methyl-7-sulfanylidene-1,4-dihydropyrazolo[4,3-d]pyrimidin-3-one
Names & synonyms
100565-58-03-Hydroxy-2-methyl-2H-pyrazolo[4,3-d]pyrimidine-7(4H)-thione7H-Pyrazolo[4,3-d]pyrimidine-7-thione, 2,4-dihydro-3-hydroxy-2-methyl-SCHEMBL10560375DTXSID90544862AHDCASLTOXFHNL-UHFFFAOYSA-N2-methyl-7-sulfanylidene-1,4-dihydropyrazolo[4,3-d]pyrimidin-3-one2-methyl-3-hydroxy-7-mercapto-pyrazolo [4,3-d]pyrimidine2-methyl-3-hydroxy-7-mercapto-pyrazolo[4,3-d]pyrimidine2-Methyl-7-sulfanylidene-1,2,4,7-tetrahydro-3H-pyrazolo[4,3-d]pyrimidin-3-one
Database identifiers
- CAS
100565-58-0- PubChem CID
- 13607366
- DTXSID
DTXSID90544862
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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