N-[4-(2-chloranylpyridin-3-yl)oxy-3-methyl-phenyl]-2-ethynyl-quinazolin-4-amine

Systemtic Name: N-[4-(2-chloranylpyridin-3-yl)oxy-3-methyl-phenyl]-2-ethynyl-quinazolin-4-amine Openeye Name: N-[4-[(2-chloro-3-pyridyl)oxy]-3-methyl-phenyl]-2-ethynyl-quinazolin-4-amine CAS Name: N-[4-[(2-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2-ethynyl-4-quinazolinamine IUPAC Name: N-[4-(2-chloropyridin-3-yl)oxy-3-methylphenyl]-2-ethynylquinazolin-4-amine Traditional Name: [4-[(2-chloro-3-pyridyl)oxy]-3-methyl-phenyl]-(2-ethynylquinazolin-4-yl)amine Formula: C22H15ClN4O MolecularWeight: 386.8337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=C(N=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=C(N=CC=C4)Cl

InChI

InChI=1S/C22H15ClN4O/c1-3-20-26-17-8-5-4-7-16(17)22(27-20)25-15-10-11-18(14(2)13-15)28-19-9-6-12-24-21(19)23/h1,4-13H,2H3,(H,25,26,27)