5-azanyl-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C21H13F3N6 MolecularWeight: 406.36333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=C2N3C(=C(C=N3)C#N)N)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=C2N3C(=C(C=N3)C#N)N)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H13F3N6/c22-21(23,24)20-28-17(14-9-5-2-6-10-14)16(13-7-3-1-4-8-13)19(29-20)30-18(26)15(11-25)12-27-30/h1-10,12H,26H2