3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid

Systemtic Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid Openeye Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid CAS Name: 3-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]propanoic acid IUPAC Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid Traditional Name: 3-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]propionic acid Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NCCC(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NCCC(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7O2/c28-18(29)6-9-21-19-15-4-1-2-5-16(15)24-17(25-19)14-26-10-12-27(13-11-26)20-22-7-3-8-23-20/h1-5,7-8H,6,9-14H2,(H,28,29)(H,21,24,25)