N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine

Systemtic Name: N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Openeye Name: N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]-6-[2-(4-piperidyl)ethynyl]quinazolin-4-amine CAS Name: N-[3-methyl-4-[(2-methyl-5-pyrimidinyl)oxy]phenyl]-6-[2-(4-piperidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine Traditional Name: [3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]-[6-[2-(4-piperidyl)ethynyl]quinazolin-4-yl]amine Formula: C27H26N6O MolecularWeight: 450.53494

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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=CN=C(N=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O/c1-18-13-22(6-8-26(18)34-23-15-29-19(2)30-16-23)33-27-24-14-21(5-7-25(24)31-17-32-27)4-3-20-9-11-28-12-10-20/h5-8,13-17,20,28H,9-12H2,1-2H3,(H,31,32,33)