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

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenylpyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C24H22N6O MolecularWeight: 410.47108

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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(=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H22N6O/c1-4-20-19(14-25)23(26)30(29-20)21-13-22(31-18-11-15(2)10-16(3)12-18)28-24(27-21)17-8-6-5-7-9-17/h5-13H,4,26H2,1-3H3