cyclopropyne; 2-(2-hydroxyethylsulfanyl)-N-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]ethanamide

Systemtic Name: cyclopropyne; 2-(2-hydroxyethylsulfanyl)-N-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]ethanamide Openeye Name: cyclopropyne; 2-(2-hydroxyethylsulfanyl)-N-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]acetamide CAS Name: cyclopropyne; 2-(2-hydroxyethylthio)-N-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]acetamide IUPAC Name: cyclopropyne; 2-(2-hydroxyethylsulfanyl)-N-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]acetamide Traditional Name: cyclopropyne; 2-(2-hydroxyethylthio)-N-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]acetamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CSCCO)OC4=CN=CC=C4.C1C#C1

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CSCCO)OC4=CN=CC=C4.C1C#C1

InChI

InChI=1S/C24H23N5O3S.C3H2/c1-16-11-17(5-7-22(16)32-19-3-2-8-25-13-19)29-24-20-12-18(4-6-21(20)26-15-27-24)28-23(31)14-33-10-9-30;1-2-3-1/h2-8,11-13,15,30H,9-10,14H2,1H3,(H,28,31)(H,26,27,29);1H2