Molecule ID: 1795

IUPAC Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide

Description: The molecule is a member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group. It has a role as an anti-arrhythmia drug, a neuroprotective agent and a sodium channel blocker. It is a member of guanidines, an aromatic amine, an organochlorine compound, a tertiary amino compound, a member of pyrazines and a monocarboxylic acid amide. It derives from an amiloride.

SMILES: CCN(c1nc(N)c(C(O)=NC(=N)N)nc1Cl)C(C)C

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

InChI: InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)

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