3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-1-(6-morpholinopyrimidin-4-yl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-1-[6-(4-morpholinyl)-4-pyrimidinyl]-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-1-(6-morpholinopyrimidin-4-yl)pyrazol-4-yl]propionic acid Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=NC=N2)N3CCOCC3)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=NC=N2)N3CCOCC3)C)CCC(=O)O

InChI

InChI=1S/C16H21N5O3/c1-11-13(3-4-16(22)23)12(2)21(19-11)15-9-14(17-10-18-15)20-5-7-24-8-6-20/h9-10H,3-8H2,1-2H3,(H,22,23)