Basic information
- Standard SMILES
CCC(CC)Nc1nc(NCCc2cn(C)cn2)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1O.O=CO- InChIKey
BWYOICTXCNNKIR-MJWSIIAUSA-N- Molecular formula
- C24H34N10O6
- Average molar mass
- 558.6 g/mol
- Monoisotopic mass
- 558.26627884
Names & identifiers
- Preferred name
- (2r,3r,4s,5s)-2-{6-(1-Ethyl-propylamino)-2-[2-(1-methyl-1h-imidazol-4-yl)-ethylamino]-purin-9-yl}-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-tetrahydro-furan-3,4-diol formate
- IUPAC
- formic acid;(2R,3R,4S,5S)-2-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(pentan-3-ylamino)purin-9-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolane-3,4-diol
Names & synonyms
SCHEMBL7207900BWYOICTXCNNKIR-MJWSIIAUSA-N(2r,3r,4s,5s)-2-{6-(1-ethyl-propylamino)-2-[2-(1-methyl-1h-imidazol-4-yl)-ethylamino]-purin-9-yl}-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-tetrahydro-furan-3,4-diol formate
Database identifiers
- PubChem CID
- 70021795
Properties
Computed structural properties
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 748
Related reactions
1 records
Compound notes
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