2-[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]ethanoylamino]ethanoate Openeye Name: 2-[[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]ethyl]amino]acetate IUPAC Name: 2-[[2-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]acetyl]amino]acetate Formula: C21H23N8O3- MolecularWeight: 435.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N8O3/c30-18(24-13-19(31)32)12-25-20-15-4-1-2-5-16(15)26-17(27-20)14-28-8-10-29(11-9-28)21-22-6-3-7-23-21/h1-7H,8-14H2,(H,24,30)(H,31,32)(H,25,26,27)/p-1