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

Systemtic Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Openeye Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(p-tolylmethyl)-4H-pyrazol-3-one CAS Name: (4S)-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-[(4-methylphenyl)methyl]-4H-pyrazol-3-one IUPAC Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-4H-pyrazol-3-one Traditional Name: (4S)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(4-methylbenzyl)-2-pyrazolin-3-one Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2C(=NN(C2=O)C3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H]2C(=NN(C2=O)C3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C18H20N4O/c1-11-5-7-15(8-6-11)10-16-14(4)21-22(17(16)23)18-19-12(2)9-13(3)20-18/h5-9,16H,10H2,1-4H3/t16-/m0/s1