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

Systemtic Name: (2S)-3-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]butyric acid Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O2/c1-15(2)19(21(30)31)27-20-16-6-3-4-7-17(16)25-18(26-20)14-28-10-12-29(13-11-28)22-23-8-5-9-24-22/h3-9,15,19H,10-14H2,1-2H3,(H,30,31)(H,25,26,27)/t19-/m0/s1