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

Systemtic Name: 3-[2-(5-cyano-2-ethoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[6-(benzylamino)-2-(5-cyano-2-ethoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-ethoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[6-(benzylamino)-2-(5-cyano-2-ethoxyphenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(benzylamino)-2-(5-cyano-2-ethoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C29H26N6O6 MolecularWeight: 554.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C29H26N6O6/c1-4-39-23-14-13-20(17-30)15-24(23)41-29-32-26(31-18-19-9-6-5-7-10-19)25(35(37)38)27(33-29)40-22-12-8-11-21(16-22)28(36)34(2)3/h5-16H,4,18H2,1-3H3,(H,31,32,33)