N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C25H25FN5O+ MolecularWeight: 430.497303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H24FN5O/c26-20-9-7-18(8-10-20)23(31-12-14-32-15-13-31)17-28-25-21-5-1-2-6-22(21)29-24(30-25)19-4-3-11-27-16-19/h1-11,16,23H,12-15,17H2,(H,28,29,30)/p+1/t23-/m1/s1