5-azanyl-1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chloro-3,5-dimethylphenoxy)-2-phenyl-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chloro-3,5-dimethylphenoxy)-2-phenylpyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C24H21ClN6O MolecularWeight: 444.91614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC(=C(C(=C4)C)Cl)C

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC(=C(C(=C4)C)Cl)C

InChI

InChI=1S/C24H21ClN6O/c1-4-19-18(13-26)23(27)31(30-19)20-12-21(29-24(28-20)16-8-6-5-7-9-16)32-17-10-14(2)22(25)15(3)11-17/h5-12H,4,27H2,1-3H3