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

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenylpyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-phenyl-pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C22H18N6O MolecularWeight: 382.41792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=C(C=N3)C#N)N)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N6O/c1-14-8-15(2)10-18(9-14)29-20-11-19(28-21(24)17(12-23)13-25-28)26-22(27-20)16-6-4-3-5-7-16/h3-11,13H,24H2,1-2H3