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

Systemtic Name: (2S)-4-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pentanoate Openeye Name: (2S)-4-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]pentanoate Traditional Name: (2S)-4-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O2/c1-16(2)14-19(22(31)32)27-21-17-6-3-4-7-18(17)26-20(28-21)15-29-10-12-30(13-11-29)23-24-8-5-9-25-23/h3-9,16,19H,10-15H2,1-2H3,(H,31,32)(H,26,27,28)/p-1/t19-/m0/s1