Chelist Moleculee
cas:157212-55-0
einecs:
smiles:c1c(c(ccc1)OC)Oc1c(OCCO)nc(c2ncccn2)nc1NS(c1ccc(C(C)(C)C)cc1)(=O)=O.O
name:Bosentan
component:147536-97-8
MW:569.629
formula:C27H31N5O7S
InChi:
InChiKey:
SMARTS:
Other names
Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, hydrate (1:1)
Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, monohydrate (9CI)
Bosentan hydrate

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

SEURAT-1 GC (19): SEURAT-1 Gold Compounds (EU Research Projects)