2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 4-benzyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 4-benzyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-benzyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-3-pyrazolin-3-one Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H18N4O/c1-11-9-12(2)19-17(18-11)21-16(22)15(13(3)20-21)10-14-7-5-4-6-8-14/h4-9,20H,10H2,1-3H3