2-[methyl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]ethanoic acid Openeye Name: 2-[methyl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]acetic acid CAS Name: 2-[methyl-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]acetic acid IUPAC Name: 2-[methyl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]acetic acid Traditional Name: 2-[methyl-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]acetic acid Formula: C20H23N7O2 MolecularWeight: 393.44232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(CC(=O)O)C1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7O2/c1-25(14-18(28)29)19-15-5-2-3-6-16(15)23-17(24-19)13-26-9-11-27(12-10-26)20-21-7-4-8-22-20/h2-8H,9-14H2,1H3,(H,28,29)