3-[3-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]propanoic acid

Systemtic Name: 3-[3-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]propanoic acid Openeye Name: 3-[1-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)isoindolin-2-yl]propanoic acid CAS Name: 3-[3-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-isoindol-2-yl]propanoic acid IUPAC Name: 3-[3-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]propanoic acid Traditional Name: 3-[1-keto-3-[4-(2-pyrimidyl)piperazino]isoindolin-2-yl]propionic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3=CC=CC=C3C(=O)N2CCC(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2C3=CC=CC=C3C(=O)N2CCC(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C19H21N5O3/c25-16(26)6-9-24-17(14-4-1-2-5-15(14)18(24)27)22-10-12-23(13-11-22)19-20-7-3-8-21-19/h1-5,7-8,17H,6,9-13H2,(H,25,26)