7-Benzyl-5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine
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Basic information
- Standard SMILES
CSc1nc(SC)c2c(C)cn(Cc3ccccc3)c2n1- InChIKey
SOEUNYCRNHLSCE-UHFFFAOYSA-N- Molecular formula
- C16H17N3S2
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.0863899
Names & identifiers
- Preferred name
- 7-Benzyl-5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine
- IUPAC
- 7-benzyl-5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine
Names & synonyms
NSC619125CHEMBL2001615NSC-619125NCI60_005690
Database identifiers
- PubChem CID
- 358958
- ChEMBL
CHEMBL2001615
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
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Compound notes
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