Marvin  09100814042D          

 21 22  0  0  0  0            999 V2000
   -1.6625    0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    0.4957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    0.4957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.9332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4000   -1.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -0.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -0.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0750   -0.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9000   -0.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4834    0.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3084    0.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8917    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4751    1.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8917   -0.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4751   -0.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1  4  1  0  0  0  0
 14  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  8  6  2  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10  7  1  0  0  0  0
  7 12  1  0  0  0  0
 12  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  3  0  0  0  0
 20 21  3  0  0  0  0
M  END
> <ID>
CHEBI:50567

> <NAME>
levosimendan

> <STAR>
3

> <IUPAC_NAME>
({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile

> <INN>
levosimendanum; levosimendan; levosimendan

> <BRAND_NAME>
Simdax

> <FORMULA>
C14H12N6O

> <MASS>
280.28492

> <MONOISOTOPIC_MASS>
280.10726

> <CHARGE>
0

> <SMILES>
C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1

> <INCHI>
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1

> <INCHIKEY>
WHXMKTBCFHIYNQ-SECBINFHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6959885

> <CAS_REGISTRY_NUMBER>
141505-33-1

> <CHEMIDPLUS>
141505-33-1

> <DRUGBANK_ACCESSION>
DB00922

> <KEGG_DRUG_ACCESSION>
D04720

$$$$