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

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

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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=C(N=CC=C5)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCNC4)OC5=C(N=CC=C5)C

InChI

InChI=1S/C28H27N5O/c1-19-15-23(10-12-26(19)34-27-6-4-14-30-20(27)2)33-28-24-16-21(9-11-25(24)31-18-32-28)7-8-22-5-3-13-29-17-22/h4,6,9-12,14-16,18,22,29H,3,5,13,17H2,1-2H3,(H,31,32,33)