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

Systemtic Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(3-methylbutyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-isopentyl-5-methyl-4H-pyrazol-3-one CAS Name: (4S)-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-(3-methylbutyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(3-methylbutyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-isoamyl-5-methyl-2-pyrazolin-3-one Formula: C15H22N4O MolecularWeight: 274.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(C(=N2)C)CCC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)[C@H](C(=N2)C)CCC(C)C)C

InChI

InChI=1S/C15H22N4O/c1-9(2)6-7-13-12(5)18-19(14(13)20)15-16-10(3)8-11(4)17-15/h8-9,13H,6-7H2,1-5H3/t13-/m0/s1