N-(pyridin-3-ylmethyl)-N-[3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propyl]methanesulfonamide

Systemtic Name: N-(pyridin-3-ylmethyl)-N-[3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propyl]methanesulfonamide Openeye Name: N-(3-pyridylmethyl)-N-[3-[[2-(3-thienyl)quinazolin-4-yl]amino]propyl]methanesulfonamide CAS Name: N-(3-pyridinylmethyl)-N-[3-[[2-(3-thiophenyl)-4-quinazolinyl]amino]propyl]methanesulfonamide IUPAC Name: N-(pyridin-3-ylmethyl)-N-[3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propyl]methanesulfonamide Traditional Name: N-(3-pyridylmethyl)-N-[3-[[2-(3-thienyl)quinazolin-4-yl]amino]propyl]methanesulfonamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCNC1=NC(=NC2=CC=CC=C21)C3=CSC=C3)CC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)N(CCCNC1=NC(=NC2=CC=CC=C21)C3=CSC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H23N5O2S2/c1-31(28,29)27(15-17-6-4-10-23-14-17)12-5-11-24-22-19-7-2-3-8-20(19)25-21(26-22)18-9-13-30-16-18/h2-4,6-10,13-14,16H,5,11-12,15H2,1H3,(H,24,25,26)