N-[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]-6-(2-pyridin-3-ylethynyl)quinazolin-4-amine

Systemtic Name: N-[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]-6-(2-pyridin-3-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]phenyl]-6-[2-(3-pyridyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[2-(3-pyridinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]-6-(2-pyridin-3-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-[(6-methyl-3-pyridyl)oxy]phenyl]-[6-[2-(3-pyridyl)ethynyl]quinazolin-4-yl]amine Formula: C28H21N5O MolecularWeight: 443.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5=CN=CC=C5)C

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5=CN=CC=C5)C

InChI

InChI=1S/C28H21N5O/c1-19-14-23(9-12-27(19)34-24-10-5-20(2)30-17-24)33-28-25-15-21(8-11-26(25)31-18-32-28)6-7-22-4-3-13-29-16-22/h3-5,8-18H,1-2H3,(H,31,32,33)