N'-[4-[2-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]ethane-1,2-diamine

Systemtic Name: N'-[4-[2-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]ethane-1,2-diamine Openeye Name: N'-[4-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-pyridyl]ethane-1,2-diamine CAS Name: N'-[4-[2-[3-(trifluoromethyl)anilino]-4-pyrimidinyl]-2-pyridinyl]ethane-1,2-diamine IUPAC Name: N'-[4-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridin-2-yl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[4-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-pyridyl]amine Formula: C18H17F3N6 MolecularWeight: 374.36299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCN)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCN)C(F)(F)F

InChI

InChI=1S/C18H17F3N6/c19-18(20,21)13-2-1-3-14(11-13)26-17-25-8-5-15(27-17)12-4-7-23-16(10-12)24-9-6-22/h1-5,7-8,10-11H,6,9,22H2,(H,23,24)(H,25,26,27)