2-[4-(2-azanylpyrimidin-4-yl)-5-(4-fluorophenyl)-5-piperidin-1-yl-4H-imidazol-3-yl]propanoic acid

Systemtic Name: 2-[4-(2-azanylpyrimidin-4-yl)-5-(4-fluorophenyl)-5-piperidin-1-yl-4H-imidazol-3-yl]propanoic acid Openeye Name: 2-[4-(2-aminopyrimidin-4-yl)-5-(4-fluorophenyl)-5-(1-piperidyl)-4H-imidazol-3-yl]propanoic acid CAS Name: 2-[4-(2-amino-4-pyrimidinyl)-5-(4-fluorophenyl)-5-(1-piperidinyl)-4H-imidazol-3-yl]propanoic acid IUPAC Name: 2-[4-(2-aminopyrimidin-4-yl)-5-(4-fluorophenyl)-5-piperidin-1-yl-4H-imidazol-3-yl]propanoic acid Traditional Name: 2-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-4-piperidino-2-imidazolin-1-yl]propionic acid Formula: C21H25FN6O2 MolecularWeight: 412.460603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=NC(C1C2=NC(=NC=C2)N)(C3=CC=C(C=C3)F)N4CCCCC4

Isomeric SMILES

CC(C(=O)O)N1C=NC(C1C2=NC(=NC=C2)N)(C3=CC=C(C=C3)F)N4CCCCC4

InChI

InChI=1S/C21H25FN6O2/c1-14(19(29)30)28-13-25-21(27-11-3-2-4-12-27,15-5-7-16(22)8-6-15)18(28)17-9-10-24-20(23)26-17/h5-10,13-14,18H,2-4,11-12H2,1H3,(H,29,30)(H2,23,24,26)