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

Systemtic Name: N-[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-[(6-methyl-3-pyridyl)oxy]phenyl]-[6-[2-(4-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5)C

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5CCNCC5)C

InChI

InChI=1S/C28H27N5O/c1-19-15-23(7-10-27(19)34-24-8-3-20(2)30-17-24)33-28-25-16-22(6-9-26(25)31-18-32-28)5-4-21-11-13-29-14-12-21/h3,6-10,15-18,21,29H,11-14H2,1-2H3,(H,31,32,33)