3,5-diamino-6-chloro-N-(N-phenylcarbamimidoyl)pyrazine-2-carboxamide; methanesulfonic acid

CAS: 1161-94-0

Formula: C13H16ClN7O4S

SMILES: CS(O)(=O)=O.NC1=NC(N)=C(Cl)N=C1C(=O)NC(=N)NC1=CC=CC=C1

IUPAC: 3,5-diamino-6-chloro-N-(N-phenylcarbamimidoyl)pyrazine-2-carboxamide; methanesulfonic acid

InChI: InChI=1S/C12H12ClN7O.CH4O3S/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H4,14,15,19)(H3,16,17,20,21);1H3,(H,2,3,4)

Composition: C (38.86%), H (4.01%), Cl (8.82%), N (24.40%), O (15.93%), S (7.98%)

Molar Mass: 401.83

Atom Count: 42

Heavy Atom Count: 26