5-azanyl-3-ethyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-ethyl-1-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-ethyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-3-ethyl-1-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-ethyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-3-ethyl-1-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C17H14F3N7O MolecularWeight: 389.33457

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H14F3N7O/c1-2-13-12(8-21)16(22)27(26-13)15-7-14(23-9-24-15)25-10-3-5-11(6-4-10)28-17(18,19)20/h3-7,9H,2,22H2,1H3,(H,23,24,25)