Basic information
- Standard SMILES
CC(=O)O.CCOc1cc(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)ccc1OC- InChIKey
SXWPWMBMNRXRBS-UHFFFAOYSA-N- Molecular formula
- C25H28N8O5
- Average molar mass
- 520.5 g/mol
Names & identifiers
- Preferred name
- 4-{[(3-ethoxy-4-methoxyphenyl)-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}benzamidine acetate
- IUPAC
- acetic acid;4-[[(3-ethoxy-4-methoxyphenyl)-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]benzenecarboximidamide
Names & synonyms
SCHEMBL1620072SXWPWMBMNRXRBS-UHFFFAOYSA-N4-{[(3-ethoxy-4-methoxyphenyl)-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}benzamidine acetate
Database identifiers
- PubChem CID
- 136366259
Properties
Computed structural properties
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 767
Related reactions
4 records
Compound notes
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