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

Systemtic Name: 5-azanyl-3-[2,4-bis(fluoranyl)phenyl]-1-pyrimidin-4-yl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(2,4-difluorophenyl)-1-pyrimidin-4-yl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-(2,4-difluorophenyl)-1-(4-pyrimidinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-(2,4-difluorophenyl)-1-pyrimidin-4-ylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-(2,4-difluorophenyl)-1-(4-pyrimidyl)pyrazole-4-carbonitrile Formula: C14H8F2N6 MolecularWeight: 298.250326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C2=NN(C(=C2C#N)N)C3=NC=NC=C3

Isomeric SMILES

C1=CC(=C(C=C1F)F)C2=NN(C(=C2C#N)N)C3=NC=NC=C3

InChI

InChI=1S/C14H8F2N6/c15-8-1-2-9(11(16)5-8)13-10(6-17)14(18)22(21-13)12-3-4-19-7-20-12/h1-5,7H,18H2