Basic information
- Standard SMILES
Cl.N=C(NCCCCc1ccc(O)cc1)NC(=O)c1nc(Cl)c(N)nc1N- InChIKey
ATRXYQGTRBJBPP-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N7O2
- Average molar mass
- 414.3 g/mol
- Monoisotopic mass
- 413.1133783
Names & identifiers
- Preferred name
- 4-(4-Hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride
- IUPAC
- 3,5-diamino-6-chloro-N-[N'-[4-(4-hydroxyphenyl)butyl]carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
Database identifiers
- PubChem CID
- 11338956
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Related reactions
20 records
Compound notes
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