1-(4,6-dimethylpyrimidin-2-yl)-2-ethanoyl-5-oxidanyl-3-phenyl-3H-pyrazole-4-carbonitrile

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-ethanoyl-5-oxidanyl-3-phenyl-3H-pyrazole-4-carbonitrile Openeye Name: 2-acetyl-1-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-3-phenyl-3H-pyrazole-4-carbonitrile CAS Name: 2-acetyl-1-(4,6-dimethyl-2-pyrimidinyl)-5-hydroxy-3-phenyl-3H-pyrazole-4-carbonitrile IUPAC Name: 2-acetyl-1-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-3-phenyl-3H-pyrazole-4-carbonitrile Traditional Name: 1-acetyl-2-(4,6-dimethylpyrimidin-2-yl)-3-hydroxy-5-phenyl-3-pyrazoline-4-carbonitrile Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(N2C(=O)C)C3=CC=CC=C3)C#N)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(N2C(=O)C)C3=CC=CC=C3)C#N)O)C

InChI

InChI=1S/C18H17N5O2/c1-11-9-12(2)21-18(20-11)23-17(25)15(10-19)16(22(23)13(3)24)14-7-5-4-6-8-14/h4-9,16,25H,1-3H3