2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C16H12ClN5O MolecularWeight: 325.75238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C)Cl

InChI

InChI=1S/C16H12ClN5O/c1-9-13(17)10(2)22(21-9)16-19-14(11-6-4-3-5-7-11)12(8-18)15(23)20-16/h3-7H,1-2H3,(H,19,20,23)