N-(3-methyl-4-pyridin-3-yloxy-phenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-pyridin-3-yloxy-phenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine Openeye Name: N-[3-methyl-4-(3-pyridyloxy)phenyl]-6-[2-[(3S)-3-piperidyl]ethynyl]quinazolin-4-amine CAS Name: N-[3-methyl-4-(3-pyridinyloxy)phenyl]-6-[2-[(3S)-3-piperidinyl]ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine Traditional Name: [3-methyl-4-(3-pyridyloxy)phenyl]-[6-[2-[(3S)-3-piperidyl]ethynyl]quinazolin-4-yl]amine Formula: C27H25N5O MolecularWeight: 435.5203

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=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#C[C@@H]4CCCNC4)OC5=CN=CC=C5

InChI

InChI=1S/C27H25N5O/c1-19-14-22(9-11-26(19)33-23-5-3-13-29-17-23)32-27-24-15-20(8-10-25(24)30-18-31-27)6-7-21-4-2-12-28-16-21/h3,5,8-11,13-15,17-18,21,28H,2,4,12,16H2,1H3,(H,30,31,32)/t21-/m0/s1