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

Systemtic Name: N-[3-methyl-4-(2-methylpyridin-3-yl)oxy-phenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-methyl-4-[(2-methyl-3-pyridyl)oxy]phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[3-methyl-4-(2-methylpyridin-3-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-[(2-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=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNCC4)OC5=C(N=CC=C5)C

Isomeric SMILES

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

InChI

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