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

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O/c1-19-16-22(5-7-26(19)33-23-10-14-29-15-11-23)32-27-24-17-21(4-6-25(24)30-18-31-27)3-2-20-8-12-28-13-9-20/h4-7,10-11,14-18,20,28H,8-9,12-13H2,1H3,(H,30,31,32)