Marvin  09160818122D          

 15 15  0  0  0  0            999 V2000
   -0.3125    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0270   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164   -0.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0270    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414    1.0125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4020    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2598    0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1164    1.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  7  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2  5  2  0  0  0  0
  5  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
 14 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <ID>
CHEBI:2639

> <NAME>
amiloride

> <DEFINITION>
A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:47210

> <SYNONYM>
N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide; Amiloride; 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide

> <IUPAC_NAME>
3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide

> <INN>
amiloridum; amiloride; amiloride; amilorida

> <FORMULA>
C6H8ClN7O

> <MASS>
229.62700

> <MONOISOTOPIC_MASS>
229.04789

> <CHARGE>
0

> <SMILES>
NC(=N)NC(=O)c1nc(Cl)c(N)nc1N

> <INCHI>
InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)

> <INCHIKEY>
XSDQTOBWRPYKKA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
616612

> <CAS_REGISTRY_NUMBER>
2609-46-3

> <REAXYS_REGISTRY_NUMBER>
657410

> <CHEMIDPLUS>
2609-46-3

> <DRUGBANK_ACCESSION>
DB00594

> <KEGG_COMPOUND_ACCESSION>
C06821

> <KEGG_DRUG_ACCESSION>
D07447

> <LINCS_ACCESSION>
LSM-4194

> <METACYC_ACCESSION>
CPD-10324

> <PDBECHEM_ACCESSION>
AMR

> <WIKIPEDIA_ACCESSION>
Amiloride

> <PUBMED_CITATION>
16020936; 24410943; 24419567; 9124403

$$$$