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

Systemtic Name: 3-[2-(5-cyano-2-phenylmethoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[6-(benzylamino)-2-(2-benzyloxy-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-phenylmethoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[6-(benzylamino)-2-(5-cyano-2-phenylmethoxyphenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(2-benzoxy-5-cyano-phenoxy)-6-(benzylamino)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C34H28N6O6 MolecularWeight: 616.62272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C34H28N6O6/c1-39(2)33(41)26-14-9-15-27(19-26)45-32-30(40(42)43)31(36-21-23-10-5-3-6-11-23)37-34(38-32)46-29-18-25(20-35)16-17-28(29)44-22-24-12-7-4-8-13-24/h3-19H,21-22H2,1-2H3,(H,36,37,38)