N-(3-methyl-4-pyrimidin-5-yloxy-phenyl)-6-(2-piperidin-3-ylethynyl)quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-pyrimidin-5-yloxy-phenyl)-6-(2-piperidin-3-ylethynyl)quinazolin-4-amine Openeye Name: N-(3-methyl-4-pyrimidin-5-yloxy-phenyl)-6-[2-(3-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-methyl-4-(5-pyrimidinyloxy)phenyl]-6-[2-(3-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-pyrimidin-5-yloxyphenyl)-6-(2-piperidin-3-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-(5-pyrimidyloxy)phenyl]-[6-[2-(3-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C26H24N6O MolecularWeight: 436.50836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCNC4)OC5=CN=CN=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCNC4)OC5=CN=CN=C5

InChI

InChI=1S/C26H24N6O/c1-18-11-21(7-9-25(18)33-22-14-28-16-29-15-22)32-26-23-12-19(6-8-24(23)30-17-31-26)4-5-20-3-2-10-27-13-20/h6-9,11-12,14-17,20,27H,2-3,10,13H2,1H3,(H,30,31,32)