2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]ethanoate

Systemtic Name: 2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]ethanoate Openeye Name: 2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]acetate CAS Name: 2-[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinyl]amino]acetate IUPAC Name: 2-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-4-yl]amino]acetate Traditional Name: 2-[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-yl]amino]acetate Formula: C19H21N7O2 MolecularWeight: 379.41574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC(=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC(=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C19H21N7O2/c27-17(28)12-22-18-14-4-1-2-5-15(14)23-16(24-18)13-25-8-10-26(11-9-25)19-20-6-3-7-21-19/h1-7H,8-13H2,(H,27,28)(H,22,23,24)