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

Systemtic Name: (2S)-4-methylsulfanyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]butyric acid Formula: C22H27N7O2S MolecularWeight: 453.56048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O2S/c1-32-14-7-18(21(30)31)26-20-16-5-2-3-6-17(16)25-19(27-20)15-28-10-12-29(13-11-28)22-23-8-4-9-24-22/h2-6,8-9,18H,7,10-15H2,1H3,(H,30,31)(H,25,26,27)/t18-/m0/s1