Basic information
- Standard SMILES
CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)NCc6cccnc6)C5)nc43)[C@H](O)[C@@H]2O)n1.Cl- InChIKey
ZEJXRUSGFOFTAX-UJPWYXAPSA-N- Molecular formula
- C39H45ClN12O3
- Average molar mass
- 765.3 g/mol
Names & identifiers
- Preferred name
- 1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-ylmethyl-urea hydrochloride
- IUPAC
- 1-[(3R)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyltriazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea;hydrochloride
Names & synonyms
SCHEMBL590491ZEJXRUSGFOFTAX-UJPWYXAPSA-N1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(4-ethyl-[1,2,3]triazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-ylmethyl-urea hydrochloride
Database identifiers
- PubChem CID
- 66736583
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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