4-[(2-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-olate

Systemtic Name: 4-[(2-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-olate Openeye Name: 4-[(2-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-olate CAS Name: 4-[(2-chlorophenyl)methyl]-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazololate IUPAC Name: 4-[(2-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-olate Traditional Name: 4-(2-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-olate Formula: C17H16ClN4O- MolecularWeight: 327.78814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC3=CC=CC=C3Cl)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC3=CC=CC=C3Cl)[O-])C

InChI

InChI=1S/C17H17ClN4O/c1-10-8-11(2)20-17(19-10)22-16(23)14(12(3)21-22)9-13-6-4-5-7-15(13)18/h4-8,23H,9H2,1-3H3/p-1