2-azanyl-4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylamino]-6-pyridin-2-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylamino]-6-pyridin-2-yl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylamino]-6-(2-pyridyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-6-(2-pyridinyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylamino]-6-pyridin-2-ylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylamino]-6-(2-pyridyl)pyrimidine-5-carbonitrile Formula: C17H11ClF3N7 MolecularWeight: 405.76435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C(=NC(=N2)N)NCC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C(=NC(=N2)N)NCC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C17H11ClF3N7/c18-11-5-9(17(19,20)21)7-25-13(11)8-26-15-10(6-22)14(27-16(23)28-15)12-3-1-2-4-24-12/h1-5,7H,8H2,(H3,23,26,27,28)