6-[2-(azetidin-3-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-[2-(azetidin-3-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[2-(azetidin-3-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[2-(3-azetidinyl)ethynyl]-N-(3-methoxy-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-(azetidin-3-yl)ethynyl]-N-(3-methoxy-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-[2-(azetidin-3-yl)ethynyl]quinazolin-4-yl]-(3-methoxy-4-phenoxy-phenyl)amine Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC4)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC4)OC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2/c1-31-25-14-20(10-12-24(25)32-21-5-3-2-4-6-21)30-26-22-13-18(7-8-19-15-27-16-19)9-11-23(22)28-17-29-26/h2-6,9-14,17,19,27H,15-16H2,1H3,(H,28,29,30)