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

Systemtic Name: (2S)-3-oxidanyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid Openeye Name: (2S)-3-hydroxy-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]propionic acid Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N[C@@H](CO)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7O3/c28-13-16(19(29)30)24-18-14-4-1-2-5-15(14)23-17(25-18)12-26-8-10-27(11-9-26)20-21-6-3-7-22-20/h1-7,16,28H,8-13H2,(H,29,30)(H,23,24,25)/t16-/m0/s1