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

Systemtic Name: (2S,3S)-3-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]valerate Formula: C23H28N7O2- MolecularWeight: 434.51412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O2/c1-3-16(2)20(22(31)32)28-21-17-7-4-5-8-18(17)26-19(27-21)15-29-11-13-30(14-12-29)23-24-9-6-10-25-23/h4-10,16,20H,3,11-15H2,1-2H3,(H,31,32)(H,26,27,28)/p-1/t16-,20-/m0/s1