Compound Summary
olomoucine
Compound Information
olomoucine
Compound Name: | olomoucine |
Compound CID: | 4592 |
Synonyms: | olomoucine |
Iupac Name: | 2-[[6-(benzylamino)-9-methylpurin-2-yl]amino]ethanol |
InChI: | InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20) |
InChIKey: | GTVPOLSIJWJJNY-UHFFFAOYSA-N |
Canonical Smiles: | CN1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3 |
Isomeric Smiles: | CN1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3 |
Molecular Weight: | 298.34 |
Molecular Formula: | C15H18N6O |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
olomoucine
Molecular Weight: | 298.34 |
Molecular Formula: | C15H18N6O |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 22 |
Complexity: | 338 |
Synonyms
olomoucine
Experimental Data
olomoucine
Experimental Data Visualization
olomoucine
Statistics Data
olomoucine
Statistics Data Visualization
olomoucine
