Basic information
- Standard SMILES
Cc1cc2c(NCCc3ccc4c(c3)OCCO4)nc(-c3cnccn3)nc2s1- InChIKey
WIBOUHNHVWFHEH-UHFFFAOYSA-N- Molecular formula
- C21H19N5O2S
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- 2-(Pyrazin-2-yl)-4-(3,4-ethylenedioxyphenethylamino)-6-methyl-thieno-[2,3-d]-pyrimidine
- IUPAC
- N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL7620678WIBOUHNHVWFHEH-UHFFFAOYSA-N2-(pyrazin-2-yl)-4-(3,4-ethylenedioxyphenethylamino)-6-methyl-thieno-[2,3-d]-pyrimidine
Database identifiers
- PubChem CID
- 18459909
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
5 records
Compound notes
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