**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Simendan

Properties Image MNX_ID MNXM1585816 reference hmdb:HMDB0258295 formula C14H12N6O global charge 0 mol weight 280.291 InChIKey WHXMKTBCFHIYNQ-UHFFFAOYSA-N 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) SMILES CC1CC(O)=NN=C1c1ccc(NN=C(C#N)C#N)cc1 MNX internals InChI (mnx) InChI=1/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? SMILES (mnx) [CH3:1][CH:9]1[CH2:6][C:13]([OH:21])=[N:19][N:20]=[C:14]1[c:10]1[cH:2][cH:4][c:11]([NH:17]/[N:18]=[C:12](/[C:7]#[N:15])[C:8]#[N:16])[cH:5][cH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
hmdb:HMDB0258295 WHXMKTBCFHIYNQ-UHFFFAOYSA-N	Simendan ((4-(1,4,5,6-tetrahydro-4-Methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile 1-cyano-N-[4-(6-hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)phenyl]methanecarbohydrazonoyl cyanide Dextrosimendan Levosimendan Simadax