4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(oxidanylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(oxidanylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C20H15BrN6O2 MolecularWeight: 451.2761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)NO)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)NO)NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C20H15BrN6O2/c1-11-7-14(10-23)8-12(2)17(11)29-19-16(21)18(27-28)25-20(26-19)24-15-5-3-13(9-22)4-6-15/h3-8,28H,1-2H3,(H2,24,25,26,27)