(2S)-4-azanyl-4-oxidanylidene-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: (2S)-4-amino-4-oxo-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]butanoate IUPAC Name: (2S)-4-amino-4-oxo-2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-4-amino-4-keto-2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]butyrate Formula: C21H23N8O3- MolecularWeight: 435.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC(CC(=O)N)C(=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N[C@@H](CC(=O)N)C(=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C21H24N8O3/c22-17(30)12-16(20(31)32)26-19-14-4-1-2-5-15(14)25-18(27-19)13-28-8-10-29(11-9-28)21-23-6-3-7-24-21/h1-7,16H,8-13H2,(H2,22,30)(H,31,32)(H,25,26,27)/p-1/t16-/m0/s1