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

Systemtic Name: N-(3-methyl-4-pyridin-3-yloxy-phenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-methyl-4-(3-pyridyloxy)phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-methyl-4-(3-pyridinyloxy)phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-(3-pyridyloxy)phenyl]-[6-[2-(4-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#CC4CCNCC4)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNCC4)OC5=CN=CC=C5

InChI

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