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

Systemtic Name: 3-[2-(2-tert-butyl-5-cyano-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[6-(benzylamino)-2-(2-tert-butyl-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-tert-butyl-5-cyanophenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[6-(benzylamino)-2-(2-tert-butyl-5-cyanophenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(benzylamino)-2-(2-tert-butyl-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C31H30N6O5 MolecularWeight: 566.6071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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

CC(C)(C)C1=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/C31H30N6O5/c1-31(2,3)24-15-14-21(18-32)16-25(24)42-30-34-27(33-19-20-10-7-6-8-11-20)26(37(39)40)28(35-30)41-23-13-9-12-22(17-23)29(38)36(4)5/h6-17H,19H2,1-5H3,(H,33,34,35)