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

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-olate Openeye Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-olate CAS Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazololate IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-olate Traditional Name: 4-(4-tert-butylbenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-olate Formula: C21H25N4O- MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c1-13-11-14(2)23-20(22-13)25-19(26)18(15(3)24-25)12-16-7-9-17(10-8-16)21(4,5)6/h7-11,26H,12H2,1-6H3/p-1