Basic information
- Standard SMILES
Cc1csc2nc(-c3cccnc3)nc(NCc3cccc([N+](=O)[O-])c3)c12- InChIKey
QSRSEIHHERHDMC-UHFFFAOYSA-N- Molecular formula
- C19H15N5O2S
- Average molar mass
- 377.4 g/mol
Names & identifiers
- Preferred name
- 2-(Pyridin-3-yl)-4-(3-nitrobenzylamino)-5-methyl-thieno-[2,3-d]-pyrimidine
- IUPAC
- 5-methyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL5129580QSRSEIHHERHDMC-UHFFFAOYSA-N2-(pyridin-3-yl)-4-(3-nitrobenzylamino)-5-methyl-thieno-[2,3-d]-pyrimidine
Database identifiers
- PubChem CID
- 18459864
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 519
Related reactions
5 records
Compound notes
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