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

Systemtic Name: 3-[2-(5-cyano-2-methyl-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[6-(benzylamino)-2-(5-cyano-2-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(5-cyano-2-methylphenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[6-(benzylamino)-2-(5-cyano-2-methylphenoxy)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(benzylamino)-2-(5-cyano-2-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C28H24N6O5 MolecularWeight: 524.52736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H24N6O5/c1-18-12-13-20(16-29)14-23(18)39-28-31-25(30-17-19-8-5-4-6-9-19)24(34(36)37)26(32-28)38-22-11-7-10-21(15-22)27(35)33(2)3/h4-15H,17H2,1-3H3,(H,30,31,32)