1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-3-(oxiranylmethyl)-7-phenyl-
Basic information
- CAS
85592-17-2- Standard SMILES
Cn1c(=O)n(CC2CO2)c(=O)c2c1nc1n(CCO)c(-c3ccccc3)cn21- InChIKey
IDBONBIXCMEJQA-UHFFFAOYSA-N- Molecular formula
- C19H19N5O4
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.1437041
Names & identifiers
- Preferred name
- 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-3-(oxiranylmethyl)-7-phenyl-
- IUPAC
- 6-(2-hydroxyethyl)-4-methyl-2-(oxiran-2-ylmethyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
Names & synonyms
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-(2-hydroxyethyl)-1-methyl-3-(oxiranylmethyl)-7-phenyl-85592-17-2RefChem:237835DTXSID7010061758-(2-Hydroxyethyl)-1-methyl-3-[(oxiran-2-yl)methyl]-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Database identifiers
- CAS
85592-17-2- PubChem CID
- 3069976
- DTXSID
DTXSID701006175
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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