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

Systemtic Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]butyric acid Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O2/c1-2-16(20(29)30)25-19-15-6-3-4-7-17(15)24-18(26-19)14-27-10-12-28(13-11-27)21-22-8-5-9-23-21/h3-9,16H,2,10-14H2,1H3,(H,29,30)(H,24,25,26)/t16-/m0/s1