4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid

Systemtic Name: 4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Openeye Name: 4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid CAS Name: 4-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]butanoic acid IUPAC Name: 4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]butanoic acid Traditional Name: 4-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]butyric acid Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NCCCC(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NCCCC(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C21H25N7O2/c29-19(30)7-3-8-22-20-16-5-1-2-6-17(16)25-18(26-20)15-27-11-13-28(14-12-27)21-23-9-4-10-24-21/h1-2,4-6,9-10H,3,7-8,11-15H2,(H,29,30)(H,22,25,26)