Basic information
- Standard SMILES
CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2O)n1.O=CO- InChIKey
HYQRPTVNHDAVDU-QMFCDSEYSA-N- Molecular formula
- C25H36N10O6
- Average molar mass
- 572.6 g/mol
- Monoisotopic mass
- 572.28192891
Names & identifiers
- Preferred name
- (2S,3S,4R,5R)-2-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-5-(6-(1-ethyl-propylamino)-2-[2-(1-methyl-1H-imidazol-4-yl)-ethylamino]-purin-9-yl}tetrahydro-furan-3,4-diol formate
- IUPAC
- (2S,3S,4R,5R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]oxolane-3,4-diol;formic acid
Names & synonyms
SCHEMBL7202921HYQRPTVNHDAVDU-QMFCDSEYSA-N(2S,3S,4R,5R)-2-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-5-(6-(1-ethyl-propylamino)-2-[2-(1-methyl-1H-imidazol-4-yl)-ethylamino]-purin-9-yl}tetrahydro-furan-3,4-diol formate
Database identifiers
- PubChem CID
- 70020463
Properties
Computed structural properties
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 763
Related reactions
1 records
Compound notes
Loading…