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

Systemtic Name: 6-[2-(4-azanyloxan-4-yl)ethynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[2-(4-aminotetrahydropyran-4-yl)ethynyl]-N-(3-methyl-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[2-(4-amino-4-oxanyl)ethynyl]-N-(3-methyl-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-(4-aminooxan-4-yl)ethynyl]-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-[2-(4-aminotetrahydropyran-4-yl)ethynyl]quinazolin-4-yl]-(3-methyl-4-phenoxy-phenyl)amine Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOCC4)N)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOCC4)N)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2/c1-20-17-22(8-10-26(20)34-23-5-3-2-4-6-23)32-27-24-18-21(7-9-25(24)30-19-31-27)11-12-28(29)13-15-33-16-14-28/h2-10,17-19H,13-16,29H2,1H3,(H,30,31,32)