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

Systemtic Name: 3-[2-(2-azanyl-5-cyano-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[2-(2-amino-5-cyano-phenoxy)-6-(benzylamino)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[2-(2-amino-5-cyanophenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[2-(2-amino-5-cyanophenoxy)-6-(benzylamino)-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[2-(2-amino-5-cyano-phenoxy)-6-(benzylamino)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C27H23N7O5 MolecularWeight: 525.51542

Click to see the large picture

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)N

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)N

InChI

InChI=1S/C27H23N7O5/c1-33(2)26(35)19-9-6-10-20(14-19)38-25-23(34(36)37)24(30-16-17-7-4-3-5-8-17)31-27(32-25)39-22-13-18(15-28)11-12-21(22)29/h3-14H,16,29H2,1-2H3,(H,30,31,32)