4-[5-bromanyl-4-(quinolin-6-ylamino)pyrimidin-2-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[5-bromanyl-4-(quinolin-6-ylamino)pyrimidin-2-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[5-bromo-4-(6-quinolylamino)pyrimidin-2-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[5-bromo-4-(6-quinolinylamino)-2-pyrimidinyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[5-bromo-4-(quinolin-6-ylamino)pyrimidin-2-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[5-bromo-4-(6-quinolylamino)pyrimidin-2-yl]-2-(trifluoromethyl)benzonitrile Formula: C21H11BrF3N5 MolecularWeight: 470.24475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC3=NC(=NC=C3Br)C4=CC(=C(C=C4)C#N)C(F)(F)F)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC3=NC(=NC=C3Br)C4=CC(=C(C=C4)C#N)C(F)(F)F)N=C1

InChI

InChI=1S/C21H11BrF3N5/c22-17-11-28-19(13-3-4-14(10-26)16(9-13)21(23,24)25)30-20(17)29-15-5-6-18-12(8-15)2-1-7-27-18/h1-9,11H,(H,28,29,30)