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

Systemtic Name: 6-[2-(4-azanyloxan-4-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[2-(4-aminotetrahydropyran-4-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[2-(4-amino-4-oxanyl)ethynyl]-N-(3-methoxy-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-(4-aminooxan-4-yl)ethynyl]-N-(3-methoxy-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-[2-(4-aminotetrahydropyran-4-yl)ethynyl]quinazolin-4-yl]-(3-methoxy-4-phenoxy-phenyl)amine Formula: C28H26N4O3 MolecularWeight: 466.53104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOCC4)N)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOCC4)N)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3/c1-33-26-18-21(8-10-25(26)35-22-5-3-2-4-6-22)32-27-23-17-20(7-9-24(23)30-19-31-27)11-12-28(29)13-15-34-16-14-28/h2-10,17-19H,13-16,29H2,1H3,(H,30,31,32)