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

Systemtic Name: N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [(2S)-4-benzylmorpholin-4-ium-2-yl]methyl-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H25N5O/c1-2-7-19(8-3-1)17-30-13-14-31-21(18-30)16-27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-12-26-15-20/h1-12,15,21H,13-14,16-18H2,(H,27,28,29)/p+1/t21-/m0/s1