3-[[5-bromanyl-2-[[4-(2-diethylaminoethyloxy)phenyl]amino]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[5-bromanyl-2-[[4-(2-diethylaminoethyloxy)phenyl]amino]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[5-bromo-2-[4-(2-diethylaminoethyloxy)anilino]pyrimidin-4-yl]amino]benzonitrile Formula: C23H25BrN6O MolecularWeight: 481.3882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C#N)Br

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)C#N)Br

InChI

InChI=1S/C23H25BrN6O/c1-3-30(4-2)12-13-31-20-10-8-18(9-11-20)28-23-26-16-21(24)22(29-23)27-19-7-5-6-17(14-19)15-25/h5-11,14,16H,3-4,12-13H2,1-2H3,(H2,26,27,28,29)