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

Systemtic Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid Openeye Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid CAS Name: (2S)-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]propanoic acid Traditional Name: (2S)-2-[[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:

CC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7O2/c1-14(19(28)29)23-18-15-5-2-3-6-16(15)24-17(25-18)13-26-9-11-27(12-10-26)20-21-7-4-8-22-20/h2-8,14H,9-13H2,1H3,(H,28,29)(H,23,24,25)/t14-/m0/s1