2-azanyl-4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylamino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylamino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylamino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-6-(1-pyrazolyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylamino]-6-pyrazol-1-ylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylamino]-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Formula: C15H10ClF3N8 MolecularWeight: 394.74171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClF3N8/c16-10-4-8(15(17,18)19)6-22-11(10)7-23-12-9(5-20)13(26-14(21)25-12)27-3-1-2-24-27/h1-4,6H,7H2,(H3,21,23,25,26)