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

Systemtic Name: N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-2-methylsulfanyl-acetamide CAS Name: N-[3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]-2-(methylthio)acetamide IUPAC Name: N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]-2-methylsulfanylacetamide Traditional Name: N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]-2-(methylthio)acetamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC(=O)CSC)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNC(=O)CSC)OC4=CN=CC=C4

InChI

InChI=1S/C26H23N5O2S/c1-18-13-20(8-10-24(18)33-21-6-4-11-27-15-21)31-26-22-14-19(7-9-23(22)29-17-30-26)5-3-12-28-25(32)16-34-2/h4,6-11,13-15,17H,12,16H2,1-2H3,(H,28,32)(H,29,30,31)