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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCNC4)OC5=CC=CC=N5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCNC4)OC5=CC=CC=N5

InChI

InChI=1S/C27H25N5O/c1-19-15-22(10-12-25(19)33-26-6-2-3-14-29-26)32-27-23-16-20(9-11-24(23)30-18-31-27)7-8-21-5-4-13-28-17-21/h2-3,6,9-12,14-16,18,21,28H,4-5,13,17H2,1H3,(H,30,31,32)