Basic information
- Standard SMILES
C1=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CCNC1.Cl.Cl.Cl- InChIKey
IGXZSRDXDDDMPE-UHFFFAOYSA-N- Molecular formula
- C18H19Cl3N6S
- Average molar mass
- 457.8 g/mol
Names & identifiers
- Preferred name
- Benzothiazol-6-yl-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine trihydrochloride
- IUPAC
- N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,3-benzothiazol-6-amine;trihydrochloride
Names & synonyms
SCHEMBL5001541IGXZSRDXDDDMPE-UHFFFAOYSA-Nbenzothiazol-6-yl-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine trihydrochloridebenzothiazol-6-yl-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine tris-hydrochloridebenzothiazol-6-yl-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-4-yl]amine tri-hclBenzothiazol-6-yl-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine trihydrochloride
Database identifiers
- PubChem CID
- 69274170
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Related reactions
9 records
Compound notes
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