N-[4-[4-[(3-chloranyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]but-3-ynyl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-[(3-chloranyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]but-3-ynyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[4-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]but-3-ynyl]-2-methylsulfanyl-acetamide CAS Name: N-[4-[4-[3-chloro-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]but-3-ynyl]-2-(methylthio)acetamide IUPAC Name: N-[4-[4-(3-chloro-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-ynyl]-2-methylsulfanylacetamide Traditional Name: N-[4-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]but-3-ynyl]-2-(methylthio)acetamide Formula: C26H22ClN5O2S MolecularWeight: 504.00318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NCCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=CC=C4)Cl

Isomeric SMILES

CSCC(=O)NCCC#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CN=CC=C4)Cl

InChI

InChI=1S/C26H22ClN5O2S/c1-35-16-25(33)29-12-3-2-5-18-7-9-23-21(13-18)26(31-17-30-23)32-19-8-10-24(22(27)14-19)34-20-6-4-11-28-15-20/h4,6-11,13-15,17H,3,12,16H2,1H3,(H,29,33)(H,30,31,32)