Basic information
- Standard SMILES
CSc1nc(N)nc(N2CCc3ccccc3CC2)c1C#N- InChIKey
PLWWNYZBFPBLLP-UHFFFAOYSA-N- Molecular formula
- C16H17N5S
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6953831L020385
Database identifiers
- PubChem CID
- 22003979
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
3 records
Compound notes
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