3-[2-[4-[(5-methyl-6-phenoxy-pyridin-3-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(5-methyl-6-phenoxy-pyridin-3-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[(5-methyl-6-phenoxy-3-pyridyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[(5-methyl-6-phenoxy-3-pyridinyl)amino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[(5-methyl-6-phenoxypyridin-3-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[(5-methyl-6-phenoxy-3-pyridyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C27H25N5O2 MolecularWeight: 451.5197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1OC2=CC=CC=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O

Isomeric SMILES

CC1=CC(=CN=C1OC2=CC=CC=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O

InChI

InChI=1S/C27H25N5O2/c1-19-14-21(16-29-26(19)34-22-6-3-2-4-7-22)32-25-23-15-20(8-9-24(23)30-18-31-25)10-12-27(33)11-5-13-28-17-27/h2-4,6-9,14-16,18,28,33H,5,11,13,17H2,1H3,(H,30,31,32)