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

Systemtic Name: 3,5-bis(bromanyl)-4-[2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl]oxy-benzenecarbonitrile Openeye Name: 3,5-dibromo-4-[2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3,5-dibromo-4-[[2-(4-cyanoanilino)-6-(hydroxymethyl)-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3,5-dibromo-4-[2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidin-4-yl]oxybenzonitrile Traditional Name: 3,5-dibromo-4-[2-(4-cyanoanilino)-6-methylol-pyrimidin-4-yl]oxy-benzonitrile Formula: C19H11Br2N5O2 MolecularWeight: 501.13094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11Br2N5O2/c20-15-5-12(9-23)6-16(21)18(15)28-17-7-14(10-27)25-19(26-17)24-13-3-1-11(8-22)2-4-13/h1-7,27H,10H2,(H,24,25,26)