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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O2/c1-2-6-18(21(30)31)26-20-16-7-3-4-8-17(16)25-19(27-20)15-28-11-13-29(14-12-28)22-23-9-5-10-24-22/h3-5,7-10,18H,2,6,11-15H2,1H3,(H,30,31)(H,25,26,27)/t18-/m0/s1