2-azanyl-4-pyrazol-1-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-pyrazol-1-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-pyrazol-1-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(1-pyrazolyl)-6-[[4-(trifluoromethyl)phenyl]methylamino]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-pyrazol-1-yl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-pyrazol-1-yl-6-[[4-(trifluoromethyl)benzyl]amino]pyrimidine-5-carbonitrile Formula: C16H12F3N7 MolecularWeight: 359.30859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C(=NC(=N2)N)NCC3=CC=C(C=C3)C(F)(F)F)C#N

Isomeric SMILES

C1=CN(N=C1)C2=C(C(=NC(=N2)N)NCC3=CC=C(C=C3)C(F)(F)F)C#N

InChI

InChI=1S/C16H12F3N7/c17-16(18,19)11-4-2-10(3-5-11)9-22-13-12(8-20)14(25-15(21)24-13)26-7-1-6-23-26/h1-7H,9H2,(H3,21,22,24,25)