N-[4-(2-fluoranylphenoxy)-3-methyl-phenyl]-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine

Systemtic Name: N-[4-(2-fluoranylphenoxy)-3-methyl-phenyl]-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine Openeye Name: N-[4-(2-fluorophenoxy)-3-methyl-phenyl]-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine CAS Name: N-[4-(2-fluorophenoxy)-3-methylphenyl]-6-[2-(3-pyrrolidinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-[4-(2-fluorophenoxy)-3-methylphenyl]-6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-amine Traditional Name: [4-(2-fluorophenoxy)-3-methyl-phenyl]-[6-(2-pyrrolidin-3-ylethynyl)quinazolin-4-yl]amine Formula: C27H23FN4O MolecularWeight: 438.496123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNC4)OC5=CC=CC=C5F

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCNC4)OC5=CC=CC=C5F

InChI

InChI=1S/C27H23FN4O/c1-18-14-21(9-11-25(18)33-26-5-3-2-4-23(26)28)32-27-22-15-19(6-7-20-12-13-29-16-20)8-10-24(22)30-17-31-27/h2-5,8-11,14-15,17,20,29H,12-13,16H2,1H3,(H,30,31,32)