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

Systemtic Name: 3,5-bis(bromanyl)-4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl]oxy-benzenecarbonitrile Openeye Name: 3,5-dibromo-4-[5-bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3,5-dibromo-4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3,5-dibromo-4-[5-bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidin-4-yl]oxybenzonitrile Traditional Name: 3,5-dibromo-4-[5-bromo-2-(4-cyanoanilino)-6-methylol-pyrimidin-4-yl]oxy-benzonitrile Formula: C19H10Br3N5O2 MolecularWeight: 580.027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC(=C(C(=N2)OC3=C(C=C(C=C3Br)C#N)Br)Br)CO

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC(=C(C(=N2)OC3=C(C=C(C=C3Br)C#N)Br)Br)CO

InChI

InChI=1S/C19H10Br3N5O2/c20-13-5-11(8-24)6-14(21)17(13)29-18-16(22)15(9-28)26-19(27-18)25-12-3-1-10(7-23)2-4-12/h1-6,28H,9H2,(H,25,26,27)