N-[4-(2-methylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

Systemtic Name: N-[4-(2-methylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[4-[(2-methyl-3-pyridyl)oxy]phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[4-(2-methylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [4-[(2-methyl-3-pyridyl)oxy]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=N1)OC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5

Isomeric SMILES

CC1=C(C=CC=N1)OC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5

InChI

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