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

Systemtic Name: 5-azanyl-1-[6-[[2,6-bis(fluoranyl)phenyl]amino]pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(2,6-difluoroanilino)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(2,6-difluoroanilino)-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(2,6-difluoroanilino)pyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(2,6-difluoroanilino)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C16H13F2N7 MolecularWeight: 341.318126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC=N2)NC3=C(C=CC=C3F)F

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC=N2)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C16H13F2N7/c1-2-12-9(7-19)16(20)25(24-12)14-6-13(21-8-22-14)23-15-10(17)4-3-5-11(15)18/h3-6,8H,2,20H2,1H3,(H,21,22,23)