Basic information
- CAS
29877-79-0- Standard SMILES
CSc1nc2[nH]ccc2c(=O)n1C- InChIKey
BURKBWKGMBQYCI-UHFFFAOYSA-N- Molecular formula
- C8H9N3OS
- Average molar mass
- 195.24 g/mol
- Monoisotopic mass
- 195.04663309
Names & identifiers
- Preferred name
- 3-Methyl-2-(methylsulfanyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
- IUPAC
- 3-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
- English name
- 4-methyl-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one
- Molecular formula
- C8H9N3OS
- Molecular weight
- 195.24156
Names & synonyms
29877-79-03-Methyl-2-(methylthio)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one4H-Pyrrolo[2,3-d]pyrimidin-4-one,3,7-dihydro-3-methyl-2-(methylthio)-3-methyl-2-(methylsulfanyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-oneNSC138168SCHEMBL18321913DTXSID50300663NSC-138168DS-0151404-methyl-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,7,10-trien-5-one
Database identifiers
- CAS
29877-79-0- PubChem CID
- 283443
- DTXSID
DTXSID50300663
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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