8-(2-Methoxy-4-aminocarbonyl-phenyl)-1H,3H-purin-2,6-dione
Basic information
- Standard SMILES
COc1cc(C(N)=O)ccc1-c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1- InChIKey
HDDARCXYMRGSCX-UHFFFAOYSA-N- Molecular formula
- C13H11N5O4
- Average molar mass
- 301.26 g/mol
Names & identifiers
- Preferred name
- 8-(2-Methoxy-4-aminocarbonyl-phenyl)-1H,3H-purin-2,6-dione
- IUPAC
- 4-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-methoxybenzamide
Names & synonyms
SCHEMBL10686225HDDARCXYMRGSCX-UHFFFAOYSA-N8-(2-Methoxy-4-aminocarbonyl-phenyl)-1H,3H-purin-2,6-dione8-(2-methoxy-4-aminocarbonylphenyl)-1H,3H-purin-2,6-dione
Database identifiers
- PubChem CID
- 20153243
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 499
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…