3-[4-(3-bromanyl-5-cyano-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[4-(3-bromanyl-5-cyano-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[4-(benzylamino)-6-(3-bromo-5-cyano-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[4-(3-bromo-5-cyanophenoxy)-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[4-(benzylamino)-6-(3-bromo-5-cyanophenoxy)-5-nitropyrimidin-2-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[4-(benzylamino)-6-(3-bromo-5-cyano-phenoxy)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Formula: C27H21BrN6O5 MolecularWeight: 589.39684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=CC(=CC(=C3)C#N)Br)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=C(C(=N2)OC3=CC(=CC(=C3)C#N)Br)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C27H21BrN6O5/c1-33(2)26(35)19-9-6-10-21(13-19)39-27-31-24(30-16-17-7-4-3-5-8-17)23(34(36)37)25(32-27)38-22-12-18(15-29)11-20(28)14-22/h3-14H,16H2,1-2H3,(H,30,31,32)