2-[3-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]propane-1,3-diol

Systemtic Name: 2-[3-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]propane-1,3-diol Openeye Name: 2-[3-phenyl-4-(2-pyridylmethylamino)thieno[2,3-b]pyridin-6-yl]propane-1,3-diol CAS Name: 2-[3-phenyl-4-(2-pyridinylmethylamino)-6-thieno[2,3-b]pyridinyl]propane-1,3-diol IUPAC Name: 2-[3-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-b]pyridin-6-yl]propane-1,3-diol Traditional Name: 2-[3-phenyl-4-(2-pyridylmethylamino)thieno[2,3-b]pyridin-6-yl]propane-1,3-diol Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=CC(=N3)C(CO)CO)NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=CC(=N3)C(CO)CO)NCC4=CC=CC=N4

InChI

InChI=1S/C22H21N3O2S/c26-12-16(13-27)19-10-20(24-11-17-8-4-5-9-23-17)21-18(14-28-22(21)25-19)15-6-2-1-3-7-15/h1-10,14,16,26-27H,11-13H2,(H,24,25)