4-[[4-(2,3-dihydro-1-benzofuran-5-ylamino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylamino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylamino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylamino)-7-thieno[2,3-d]pyridazinyl]oxymethyl]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylamino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide Traditional Name: 4-[[4-(coumaran-5-ylamino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-picolinamide Formula: C22H19N5O3S MolecularWeight: 433.48296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2SC=C3)NC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2SC=C3)NC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C22H19N5O3S/c1-23-21(28)17-10-13(4-7-24-17)12-30-22-19-16(6-9-31-19)20(26-27-22)25-15-2-3-18-14(11-15)5-8-29-18/h2-4,6-7,9-11H,5,8,12H2,1H3,(H,23,28)(H,25,26)