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Basic information
- Standard SMILES
CC(=O)O.COc1cc([C@H](Nc2ccc(C(=N)N)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)cc2c1OCOC2- InChIKey
LHHXHKPTBFXBON-FERBBOLQSA-N- Molecular formula
- C25H26N8O6
- Average molar mass
- 534.5 g/mol
Names & identifiers
- Preferred name
- (S)-4-{[(8-methoxy-4H-benzo[1,3]dioxin-6-yl)-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}benzamidine acetate
- IUPAC
- acetic acid;4-[[(S)-(8-methoxy-4H-1,3-benzodioxin-6-yl)-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]benzenecarboximidamide
Names & synonyms
SCHEMBL1619717LHHXHKPTBFXBON-FERBBOLQSA-N(S)-4-{[(8-methoxy-4H-benzo[1,3]dioxin-6-yl)-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl]amino}benzamidine acetate
Database identifiers
- PubChem CID
- 136366222
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 829
Related reactions
1 records
Compound notes
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