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

Systemtic Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]hexanoate Openeye Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]hexanoate CAS Name: (2S)-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]hexanoate IUPAC Name: (2S)-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]hexanoate Traditional Name: (2S)-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]hexanoate Formula: C23H28N7O2- MolecularWeight: 434.51412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O2/c1-2-3-8-19(22(31)32)27-21-17-7-4-5-9-18(17)26-20(28-21)16-29-12-14-30(15-13-29)23-24-10-6-11-25-23/h4-7,9-11,19H,2-3,8,12-16H2,1H3,(H,31,32)(H,26,27,28)/p-1/t19-/m0/s1