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

Systemtic Name: 6-[2-(azetidin-3-yl)ethynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[2-(azetidin-3-yl)ethynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[2-(3-azetidinyl)ethynyl]-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-(azetidin-3-yl)ethynyl]-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-[2-(azetidin-3-yl)ethynyl]quinazolin-4-yl]-(3-methyl-4-phenoxy-phenyl)amine Formula: C26H22N4O MolecularWeight: 406.47908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC4)OC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O/c1-18-13-21(10-12-25(18)31-22-5-3-2-4-6-22)30-26-23-14-19(7-8-20-15-27-16-20)9-11-24(23)28-17-29-26/h2-6,9-14,17,20,27H,15-16H2,1H3,(H,28,29,30)