(4S)-4-butyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one

Systemtic Name: (4S)-4-butyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one Openeye Name: (4S)-4-butyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one CAS Name: (4S)-4-butyl-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: (4S)-4-butyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one Traditional Name: (4S)-4-butyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-2-pyrazolin-3-one Formula: C14H20N4O MolecularWeight: 260.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=NN(C1=O)C2=NC(=CC(=N2)C)C)C

Isomeric SMILES

CCCC[C@H]1C(=NN(C1=O)C2=NC(=CC(=N2)C)C)C

InChI

InChI=1S/C14H20N4O/c1-5-6-7-12-11(4)17-18(13(12)19)14-15-9(2)8-10(3)16-14/h8,12H,5-7H2,1-4H3/t12-/m0/s1