Molecule ID: 1794

IUPAC Name: 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

Description: The molecule is a member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring. It has a role as a sodium channel blocker, an apoptosis inducer, an antineoplastic agent and an odorant receptor antagonist. It is a member of pyrazines, an organochlorine compound, a member of azepanes, a member of guanidines, an aromatic amine and a monocarboxylic acid amide. It derives from an amiloride.

SMILES: N=C(N)N=C(O)c1nc(Cl)c(N2CCCCCC2)nc1N

SELFIES: [N][=C][Branch1][C][N][N][=C][Branch1][C][O][C][=N][C][Branch1][C][Cl][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=C][N]

InChI: InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: 1.3