4-[[4-[(4-bromophenyl)amino]thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 4-[[4-[(4-bromophenyl)amino]thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[[4-(4-bromoanilino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[[4-(4-bromoanilino)-7-thieno[2,3-d]pyridazinyl]oxymethyl]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[[4-(4-bromoanilino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide Traditional Name: 4-[[4-(4-bromoanilino)thieno[2,3-d]pyridazin-7-yl]oxymethyl]-N-methyl-picolinamide Formula: C20H16BrN5O2S MolecularWeight: 470.34234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN5O2S/c1-22-19(27)16-10-12(6-8-23-16)11-28-20-17-15(7-9-29-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)