N-(3-methyl-4-pyridin-3-yloxy-phenyl)-6-(2-morpholin-2-ylethynyl)quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-pyridin-3-yloxy-phenyl)-6-(2-morpholin-2-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-methyl-4-(3-pyridyloxy)phenyl]-6-(2-morpholin-2-ylethynyl)quinazolin-4-amine CAS Name: N-[3-methyl-4-(3-pyridinyloxy)phenyl]-6-[2-(2-morpholinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-morpholin-2-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-(3-pyridyloxy)phenyl]-[6-(2-morpholin-2-ylethynyl)quinazolin-4-yl]amine Formula: C26H23N5O2 MolecularWeight: 437.49312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNCCO4)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNCCO4)OC5=CN=CC=C5

InChI

InChI=1S/C26H23N5O2/c1-18-13-20(6-9-25(18)33-22-3-2-10-27-16-22)31-26-23-14-19(5-8-24(23)29-17-30-26)4-7-21-15-28-11-12-32-21/h2-3,5-6,8-10,13-14,16-17,21,28H,11-12,15H2,1H3,(H,29,30,31)