Marvin  11040812022D          

 13 14  0  0  0  0            999 V2000
   -2.4750    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316   -0.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973   -0.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    0.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <ID>
CHEBI:34665

> <NAME>
debrisoquin

> <STAR>
3

> <SYNONYM>
Isocaramidine; Debrisoquine; Debrisoquin; Debrisochinum

> <IUPAC_NAME>
3,4-dihydroisoquinoline-2(1H)-carboximidamide

> <INN>
debrisoquinum; debrisoquine; debrisoquine; debrisoquina

> <FORMULA>
C10H13N3

> <MASS>
175.23044

> <MONOISOTOPIC_MASS>
175.11095

> <CHARGE>
0

> <SMILES>
NC(=N)N1CCc2ccccc2C1

> <INCHI>
InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)

> <INCHIKEY>
JWPGJSVJDAJRLW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1427619

> <CAS_REGISTRY_NUMBER>
1131-64-2

> <CHEMIDPLUS>
1131-64-2

> <DRUGBANK_ACCESSION>
DB04840

> <KEGG_COMPOUND_ACCESSION>
C13650

> <WIKIPEDIA_ACCESSION>
Debrisoquine

$$$$