4-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2,6-dimorpholinopyrimidine-4-carbonyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-oxomethyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2,6-dimorpholin-4-ylpyrimidine-4-carbonyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(2,6-dimorpholinopyrimidine-4-carbonyl)piperazino]-4-keto-butyric acid Formula: C21H30N6O6 MolecularWeight: 462.4995

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)C(=O)C2=CC(=NC(=N2)N3CCOCC3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)C(=O)C2=CC(=NC(=N2)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H30N6O6/c28-18(1-2-19(29)30)25-3-5-26(6-4-25)20(31)16-15-17(24-7-11-32-12-8-24)23-21(22-16)27-9-13-33-14-10-27/h15H,1-14H2,(H,29,30)